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Substance Name: Guanidine, N-(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)-N'-cyano-N''-(1,1-dimethylethyl)-
RN: 67026-70-4
InChIKey: LOFXPYOOFLJZMD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-Cl-N6

Molecular Weight

  • 330.8211
 
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Names and Synonyms

Synonyms

  • 5-25-11-00153 (Beilstein Handbook Reference)
  • BRN 0700900
  • Guanidine, 1-tert-butyl-3-(3-(p-chlorophenyl)-1-methyl-5-pyrazolyl)-2-cyano-
  • N-(3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-yl)-N'-cyano-N''-(1,1-dimethylethyl)guanidine

Systematic Name

  • Guanidine, N-(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)-N'-cyano-N''-(1,1-dimethylethyl)-

Registry Numbers

CAS Registry Number

  • 67026-70-4

System Generated Number

  • 0067026704

Structure Descriptors

InChI

1S/C16H19ClN6/c1-16(2,3)21-15(19-10-18)20-14-9-13(22-23(14)4)11-5-7-12(17)8-6-11/h5-9H,1-4H3,(H2,19,20,21)

InChIKey

LOFXPYOOFLJZMD-UHFFFAOYSA-N

Smiles

CC(C)(C)/N=C(\NC#N)/Nc1cc(nn1C)c2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 773, 1978.