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Pyrazoles

Organic heterocyclic compounds that consists of a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms with the formula: C₃H₃N₂H.

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1

2-(4-phenyl-1,3-thiazol-2-yl)acetamide, TRC

CAS: 58351-19-2 Molecular Formula: C11H10N2OS Molecular Weight (g/mol): 218.27 IUPAC Name: 2-(4-phenyl-1,3-thiazol-2-yl)acetamide SMILES: NC(=O)Cc1nc(cs1)c2ccccc2

CAS 58351-19-2
Molecular Weight (g/mol) 218.27
SMILES NC(=O)Cc1nc(cs1)c2ccccc2
IUPAC Name 2-(4-phenyl-1,3-thiazol-2-yl)acetamide
Molecular Formula C11H10N2OS
3

Methyl N-[2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]carbamate, TRC

CAS: 512165-96-7 Molecular Formula: C18 H16 Cl N3 O3 Molecular Weight (g/mol): 357.79 Synonym: Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]-, methyl ester (9CI),Methyl N-[2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]carbamate,BF 500-3,500M07,M500F007,Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]-, methyl ester (9CI),Methyl N-[2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]carbamate IUPAC Name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]carbamate SMILES: COC(=O)Nc1ccccc1COc2ccn(n2)c3ccc(Cl)cc3

CAS 512165-96-7
Molecular Weight (g/mol) 357.79
SMILES COC(=O)Nc1ccccc1COc2ccn(n2)c3ccc(Cl)cc3
Synonym Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]-, methyl ester (9CI),Methyl N-[2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]carbamate,BF 500-3,500M07,M500F007,Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]-, methyl ester (9CI),Methyl N-[2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]carbamate
IUPAC Name methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]carbamate
Molecular Formula C18 H16 Cl N3 O3
4

4-Dimethylamino Antipyrine, TRC

CAS: 58-15-1 Molecular Formula: C13 H17 N3 O Molecular Weight (g/mol): 231.29 Synonym: 3-Pyrazolin-5-one, 4-(dimethylamino)-2,3-dimethyl-1-phenyl- (7CI),Antipyrine, 4-(dimethylamino)- (8CI),4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one,(Dimethylamino)analgesine,(Dimethylamino)antipyrine,(Dimethylamino)phenazone,1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone,1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one,1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazolone-5,2,3-Dimethyl-4-dimethylamino-1-phenyl-3-pyrazolin-5-one,2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone,3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole,4-(Dimethylamino)antipyrine,4-Dimethylamino-1-phenyl-2,3-dimethylpyrazolone,4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one,4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazolone,4-Dimethylaminophenazone,4-N,N-Dimethylaminoantipyrine,Amidazophen,Amidazophene,Amidofebrin,Amidofen,Amidophen,Amidophenazone,Amidopyrazoline,Amidopyrin,Amidopyrine,Aminophenazon,Aminophenazone,Aminopyrin,Aminopyrine,Anafebrina,Brufaneuxol,Dereuma,Dimapyrin,Dimethylaminoazophene,Dimethylaminophenyldimethylpyrazone,Dipirin,Dipyrin,Dipyrine,Febrinina,Febron,Itamidone,Mamallet A,NSC 4993,Netsusarin,Novamidon,Piramidon,Piramidone,Piridol,Piromidina,Polinalin,Pyradone,Pyramidon,Pyramidone IUPAC Name: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2

CAS 58-15-1
Molecular Weight (g/mol) 231.29
SMILES CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2
Synonym 3-Pyrazolin-5-one, 4-(dimethylamino)-2,3-dimethyl-1-phenyl- (7CI),Antipyrine, 4-(dimethylamino)- (8CI),4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one,(Dimethylamino)analgesine,(Dimethylamino)antipyrine,(Dimethylamino)phenazone,1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone,1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one,1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazolone-5,2,3-Dimethyl-4-dimethylamino-1-phenyl-3-pyrazolin-5-one,2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone,3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole,4-(Dimethylamino)antipyrine,4-Dimethylamino-1-phenyl-2,3-dimethylpyrazolone,4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one,4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazolone,4-Dimethylaminophenazone,4-N,N-Dimethylaminoantipyrine,Amidazophen,Amidazophene,Amidofebrin,Amidofen,Amidophen,Amidophenazone,Amidopyrazoline,Amidopyrin,Amidopyrine,Aminophenazon,Aminophenazone,Aminopyrin,Aminopyrine,Anafebrina,Brufaneuxol,Dereuma,Dimapyrin,Dimethylaminoazophene,Dimethylaminophenyldimethylpyrazone,Dipirin,Dipyrin,Dipyrine,Febrinina,Febron,Itamidone,Mamallet A,NSC 4993,Netsusarin,Novamidon,Piramidon,Piramidone,Piridol,Piromidina,Polinalin,Pyradone,Pyramidon,Pyramidone
IUPAC Name 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Molecular Formula C13 H17 N3 O
5

Antipyrine, TRC

CAS: 60-80-0 Molecular Formula: C11 H12 N2 O Molecular Weight (g/mol): 188.23 Synonym: Phenazone,Propyphenazone Imp. A (EP),3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl- (9CI, ACI),1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (ACI),Antipyrine (8CI),1,5-Dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one,1,5-Dimethyl-2-phenyl-1,2-dihydropyrazol-3-one,1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H)-one,1,5-Dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one,1,5-Dimethyl-2-phenylpyrazol-3-one,1-Phenyl-2,3-dimethyl-5-pyrazolone,2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one,2,3-Dimethyl-1-phenyl-5-pyrazolone,Analgesin,Analgesine,Anodynin,Anodynine,Antipirin,Antipyrin,Apirelina,Azophen,Azophene,Dentigoa N,Dimethyloxychinizin,Dimethyloxyquinazine,Eu-Med mono,Fenazone,MeSH ID: D000983,Methozin,NSC 7945,Oxydimethylquinazine,Parodyne,Phenazon,Phenazone (pharmaceutical),Phenylon,Phenylone,Pyrazophyl,Sedatin,Sedatine IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CN1N(C(=O)C=C1C)c2ccccc2

CAS 60-80-0
Molecular Weight (g/mol) 188.23
SMILES CN1N(C(=O)C=C1C)c2ccccc2
Synonym Phenazone,Propyphenazone Imp. A (EP),3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl- (9CI, ACI),1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (ACI),Antipyrine (8CI),1,5-Dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one,1,5-Dimethyl-2-phenyl-1,2-dihydropyrazol-3-one,1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H)-one,1,5-Dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one,1,5-Dimethyl-2-phenylpyrazol-3-one,1-Phenyl-2,3-dimethyl-5-pyrazolone,2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one,2,3-Dimethyl-1-phenyl-5-pyrazolone,Analgesin,Analgesine,Anodynin,Anodynine,Antipirin,Antipyrin,Apirelina,Azophen,Azophene,Dentigoa N,Dimethyloxychinizin,Dimethyloxyquinazine,Eu-Med mono,Fenazone,MeSH ID: D000983,Methozin,NSC 7945,Oxydimethylquinazine,Parodyne,Phenazon,Phenazone (pharmaceutical),Phenylon,Phenylone,Pyrazophyl,Sedatin,Sedatine
IUPAC Name 1,5-dimethyl-2-phenylpyrazol-3-one
Molecular Formula C11 H12 N2 O
6

Propyphenazone, TRC

CAS: 479-92-5 Molecular Formula: C14 H18 N2 O Molecular Weight (g/mol): 230.31 Synonym: Propyphenazone,3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-,Antipyrine, 4-isopropyl- (6CI,7CI,8CI),1,2-Dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-3H-pyrazol-3-one,1,2-Dihydro-1,5-dimethyl-2-phenyl-4-isopropyl-3H-pyrazol-3-one,1,5-Dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one,1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one,1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one,4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one,4-Isopropylantipyrine,4-Isopropylphenazone,Arantil P,Budirol,Causyth,Cibalgina,Eufibron,Isopropchin,Isopropylantipyrin,Isopropylantipyrine,Isopropylphenazone,Isopropyrine,Larodon,Propyfenazone,Propyphenazone IUPAC Name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one SMILES: CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2

CAS 479-92-5
Molecular Weight (g/mol) 230.31
SMILES CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2
Synonym Propyphenazone,3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-,Antipyrine, 4-isopropyl- (6CI,7CI,8CI),1,2-Dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-3H-pyrazol-3-one,1,2-Dihydro-1,5-dimethyl-2-phenyl-4-isopropyl-3H-pyrazol-3-one,1,5-Dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one,1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one,1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one,4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one,4-Isopropylantipyrine,4-Isopropylphenazone,Arantil P,Budirol,Causyth,Cibalgina,Eufibron,Isopropchin,Isopropylantipyrin,Isopropylantipyrine,Isopropylphenazone,Isopropyrine,Larodon,Propyfenazone,Propyphenazone
IUPAC Name 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
Molecular Formula C14 H18 N2 O
7

Hydroxy Celecoxib, TRC

CAS: 170571-00-3 Molecular Formula: C17 H14 F3 N3 O3 S Molecular Weight (g/mol): 397.37 Synonym: Benzenesulfonamide, 4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]- (9CI, ACI),4-[5-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide (ACI),4-[5-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide,Hydroxymethylcelecoxib,Hydroxymethyl Celecoxib,Hydroxy Celecoxib IUPAC Name: 4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide SMILES: NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(CO)cc3)C(F)(F)F

CAS 170571-00-3
Molecular Weight (g/mol) 397.37
SMILES NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(CO)cc3)C(F)(F)F
Synonym Benzenesulfonamide, 4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]- (9CI, ACI),4-[5-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide (ACI),4-[5-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide,Hydroxymethylcelecoxib,Hydroxymethyl Celecoxib,Hydroxy Celecoxib
IUPAC Name 4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Molecular Formula C17 H14 F3 N3 O3 S
8

Nitrosoantipyrine, TRC

CAS: 885-11-0 Molecular Formula: C11 H11 N3 O2 Molecular Weight (g/mol): 217.22 Synonym: 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitroso-2-phenyl- (9CI, ACI),1,2-Dihydro-1,5-dimethyl-4-nitroso-2-phenyl-3H-pyrazol-3-one (ACI),Antipyrine, 4-nitroso- (6CI, 7CI, 8CI),1,2-Dihydro-2,3-dimethyl-4-nitroso-1-phenylpyrazol-5-one,1,5-Dimethyl-4-nitroso-2-phenyl-2,3-dihydro-1H-pyrazol-3-one,1-Phenyl-2,3-dimethyl-4-nitroso-5-pyrazolone,2,3-Dimethyl-4-nitroso-1-phenyl-5-pyrazolone,4-Nitrosoantipyrin,4-Nitrosoantipyrine,Nitrosoantipyrine,NSC 163932,NSC 75060 IUPAC Name: 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one SMILES: CN1N(C(=O)C(=C1C)N=O)c2ccccc2

CAS 885-11-0
Molecular Weight (g/mol) 217.22
SMILES CN1N(C(=O)C(=C1C)N=O)c2ccccc2
Synonym 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitroso-2-phenyl- (9CI, ACI),1,2-Dihydro-1,5-dimethyl-4-nitroso-2-phenyl-3H-pyrazol-3-one (ACI),Antipyrine, 4-nitroso- (6CI, 7CI, 8CI),1,2-Dihydro-2,3-dimethyl-4-nitroso-1-phenylpyrazol-5-one,1,5-Dimethyl-4-nitroso-2-phenyl-2,3-dihydro-1H-pyrazol-3-one,1-Phenyl-2,3-dimethyl-4-nitroso-5-pyrazolone,2,3-Dimethyl-4-nitroso-1-phenyl-5-pyrazolone,4-Nitrosoantipyrin,4-Nitrosoantipyrine,Nitrosoantipyrine,NSC 163932,NSC 75060
IUPAC Name 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one
Molecular Formula C11 H11 N3 O2
9

Fipronil Detrifluoromethylsulfinyl, TRC

CAS: 120068-79-3 Molecular Formula: C11 H5 Cl2 F3 N4 Molecular Weight (g/mol): 321.09 Synonym: 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-5-aminopyrazole,5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyanopyrazole,5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole,5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole; IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile SMILES: Nc1cc(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N

CAS 120068-79-3
Molecular Weight (g/mol) 321.09
SMILES Nc1cc(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N
Synonym 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-5-aminopyrazole,5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyanopyrazole,5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole,5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole;
IUPAC Name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
Molecular Formula C11 H5 Cl2 F3 N4
10

3-Hydroxymethylantipyrine, TRC

CAS: 18125-49-0 Molecular Formula: C11H12N2O2 Molecular Weight (g/mol): 204.23 Synonym: 3-(Hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one,HMA,1,2-Dihydro-5-(hydroxymethyl)-1-methyl-2-phenyl-3H-pyrazol-3-one,3-(Hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one,Hydroxymethylantipyrine IUPAC Name: 5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one SMILES: CN1N(C(=O)C=C1CO)c2ccccc2

CAS 18125-49-0
Molecular Weight (g/mol) 204.23
SMILES CN1N(C(=O)C=C1CO)c2ccccc2
Synonym 3-(Hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one,HMA,1,2-Dihydro-5-(hydroxymethyl)-1-methyl-2-phenyl-3H-pyrazol-3-one,3-(Hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one,Hydroxymethylantipyrine
IUPAC Name 5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one
Molecular Formula C11H12N2O2
11

Fipronil Sulfone, TRC

CAS: 120068-36-2 Molecular Formula: C12 H4 Cl2 F6 N4 O2 S Molecular Weight (g/mol): 453.15 Synonym: 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-,5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile,5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfonylpyrazole,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile,Fipronil metabolite 46136,Fipronil sulfone,MB 46136 IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile SMILES: Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F

CAS 120068-36-2
Molecular Weight (g/mol) 453.15
SMILES Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F
Synonym 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-,5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile,5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfonylpyrazole,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile,Fipronil metabolite 46136,Fipronil sulfone,MB 46136
IUPAC Name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile
Molecular Formula C12 H4 Cl2 F6 N4 O2 S
12

Ethiprole, TRC

CAS: 181587-01-9 Molecular Formula: C13 H9 Cl2 F3 N4 O S Molecular Weight (g/mol): 397.2 Synonym: 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)pyrazole-3-carbonitrile,Ethiprole,Kirappu,RPA 107382 IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile SMILES: CCS(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F

CAS 181587-01-9
Molecular Weight (g/mol) 397.2
SMILES CCS(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F
Synonym 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)pyrazole-3-carbonitrile,Ethiprole,Kirappu,RPA 107382
IUPAC Name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile
Molecular Formula C13 H9 Cl2 F3 N4 O S
13

Metamizole Magnesium Salt, TRC

CAS: 63372-86-1 Molecular Formula: 2 C13 H16 N3 O4 S . Mg Molecular Weight (g/mol): 645 Synonym: Magnesium, bis[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino-κN]methanesulfonato-κO]-, (T-4)- (9CI),Magnesium, bis[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonato]-, (T-4)-,Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, magnesium complex,Magnalgin,Magnesium dipyrone,Metamizole Magnesium complex IUPAC Name: magnesium;[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methylamino]methanesulfonate SMILES: [Mg+2].CN1N(C(=O)C(=C1C)CNCS(=O)(=O)[O-])c2ccccc2.CN3N(C(=O)C(=C3C)CNCS(=O)(=O)[O-])c4ccccc4

CAS 63372-86-1
Molecular Weight (g/mol) 645
SMILES [Mg+2].CN1N(C(=O)C(=C1C)CNCS(=O)(=O)[O-])c2ccccc2.CN3N(C(=O)C(=C3C)CNCS(=O)(=O)[O-])c4ccccc4
Synonym Magnesium, bis[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino-κN]methanesulfonato-κO]-, (T-4)- (9CI),Magnesium, bis[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonato]-, (T-4)-,Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, magnesium complex,Magnalgin,Magnesium dipyrone,Metamizole Magnesium complex
IUPAC Name magnesium;[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methylamino]methanesulfonate
Molecular Formula 2 C13 H16 N3 O4 S . Mg
14

Fipronil Sulfide, TRC

CAS: 120067-83-6 Molecular Formula: C12 H4 Cl2 F6 N4 S Molecular Weight (g/mol): 421.15 Synonym: 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-,5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-1H-pyrazole-3-carbonitrile,1-(2,6-Dichloro-4-trifluoromethylphenyl)-3-cyano-5-amino-4-(trifluoromethylthio)pyrazole,5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylthiopyrazole,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)pyrazole-3-carbonitrile,5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(trifluoromethylthio)pyrazole,Fipronil sulfide,MB 45950,MBO 45950 IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile SMILES: Nc1c(SC(F)(F)F)c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N

CAS 120067-83-6
Molecular Weight (g/mol) 421.15
SMILES Nc1c(SC(F)(F)F)c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N
Synonym 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-,5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-1H-pyrazole-3-carbonitrile,1-(2,6-Dichloro-4-trifluoromethylphenyl)-3-cyano-5-amino-4-(trifluoromethylthio)pyrazole,5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylthiopyrazole,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)pyrazole-3-carbonitrile,5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(trifluoromethylthio)pyrazole,Fipronil sulfide,MB 45950,MBO 45950
IUPAC Name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
Molecular Formula C12 H4 Cl2 F6 N4 S
15

Fipronil Desulfinyl, TRC

CAS: 205650-65-3 Molecular Formula: C12 H4 Cl2 F6 N4 Molecular Weight (g/mol): 389.08 Synonym: 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-,5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile,Desulfinylfipronil,Fipronil desulfinyl,Fipronil metabolite 46513,MB 46513,Fipronil-desulfinyl IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carbonitrile SMILES: Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)C(F)(F)F

CAS 205650-65-3
Molecular Weight (g/mol) 389.08
SMILES Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)C(F)(F)F
Synonym 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-,5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile,Desulfinylfipronil,Fipronil desulfinyl,Fipronil metabolite 46513,MB 46513,Fipronil-desulfinyl
IUPAC Name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carbonitrile
Molecular Formula C12 H4 Cl2 F6 N4