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Substance Name: 1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-
RN: 116834-28-7
InChIKey: QHIIOMGBOWWBRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-Cl-N3-O2

Molecular Weight

  • 315.7586
 
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Names and Synonyms

Synonym

  • 1-(4-Chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid

Systematic Name

  • 1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-

Registry Numbers

CAS Registry Number

  • 116834-28-7

System Generated Number

  • 0116834287

Structure Descriptors

InChI

1S/C16H14ClN3O2/c1-11(16(21)22)14-10-18-20(13-6-4-12(17)5-7-13)15(14)19-8-2-3-9-19/h2-11H,1H3,(H,21,22)

InChIKey

QHIIOMGBOWWBRG-UHFFFAOYSA-N

Smiles

CC(c1cnn(c1n2cccc2)c3ccc(cc3)Cl)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 251, 1988.