Cas no 1185292-87-8 (1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide)

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide structure
1185292-87-8 structure
Product Name:1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CAS No:1185292-87-8
MF:C11H8F3N3O
MW:255.195932388306
MDL:MFCD11707235
CID:1040652
PubChem ID:53416031
Update Time:2025-04-20

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
    • 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
    • 1-Phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid amide
    • DB-061314
    • DTXSID10697107
    • AKOS016006342
    • CS-0338962
    • 1185292-87-8
    • SCHEMBL14307992
    • AS-69778
    • PQCSRPBHRYWEQX-UHFFFAOYSA-N
    • MFCD11707235
    • MDL： MFCD11707235
    • Inchi： 1S/C11H8F3N3O/c12-11(13,14)9-8(10(15)18)6-17(16-9)7-4-2-1-3-5-7/h1-6H,(H2,15,18)
    • InChI Key： PQCSRPBHRYWEQX-UHFFFAOYSA-N
    • SMILES： FC(C1C(C(N)=O)=CN(C2C=CC=CC=2)N=1)(F)F

Computed Properties

  • Exact Mass: 255.06194637g/mol
  • Monoisotopic Mass: 255.06194637g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 315
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 60.9?2

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