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Substance Name: 5-Tridecylpyrazole-3-carboxylic acid
RN: 79445-14-0
InChIKey: NHYZZXXJWKXULT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H30-N2-O2

Molecular Weight

  • 294.436
 
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Names and Synonyms

Name of Substance

  • 5-Tridecylpyrazole-3-carboxylic acid

Synonyms

  • 5-n-Tridecylpyrazole-3-carboxylic acid
  • 5-Tridecylpyrazole-3-carboxylic acid

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 5-tridecyl-
  • Pyrazole-3-carboxylic acid, 5-tridecyl-

Registry Numbers

CAS Registry Number

  • 79445-14-0

System Generated Number

  • 0079445140

Structure Descriptors

InChI

1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(17(20)21)19-18-15/h14H,2-13H2,1H3,(H,18,19)(H,20,21)

InChIKey

NHYZZXXJWKXULT-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCc1cc(n[nH]1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 10gm/kg (10000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 32, Pg. 1568, 1984.