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Substance Name: 1H-Pyrazole-4-acetamide, N,N-bis(1-methylethyl)-3,5-dimethyl-1-phenyl-, hemihydrate
RN: 125103-57-3
InChIKey: RHSOSHVNVJVWGA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N3-O.1/2H2-O

Molecular Weight

  • 313.4423
 
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Names and Synonyms

Synonym

  • N,N-Bis(1-methylethyl)-3,5-dimethyl-1-phenyl-1H-pyrazole-4-acetamide hemihydrate

Systematic Name

  • 1H-Pyrazole-4-acetamide, N,N-bis(1-methylethyl)-3,5-dimethyl-1-phenyl-, hemihydrate

Registry Numbers

CAS Registry Number

  • 125103-57-3

System Generated Number

  • 0125103573

Molecular Formulas

Molecular Formula

  • C19-H27-N3-O.1/2H2-O

Molecular Formula Fragments

  • C19-H27-N3-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H27N3O/c1-13(2)21(14(3)4)19(23)12-18-15(5)20-22(16(18)6)17-10-8-7-9-11-17/h7-11,13-14H,12H2,1-6H3

InChIKey

RHSOSHVNVJVWGA-UHFFFAOYSA-N

Smiles

Cc1c(c(n(n1)c2ccccc2)C)CC(=O)N(C(C)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 684, 1989.