Cas no 102996-38-3 (1H-Pyrazole-4-carboxamide,1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-)

1H-Pyrazole-4-carboxamide,1-(2,4-dichlorophenyl)-5-(trifluoromethyl)- structure
102996-38-3 structure
Product Name:1H-Pyrazole-4-carboxamide,1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-
CAS No:102996-38-3
MF:C11H6Cl2F3N3O
MW:324.086050510406
CID:217383
PubChem ID:190470
Update Time:2025-04-19

1H-Pyrazole-4-carboxamide,1-(2,4-dichlorophenyl)-5-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxamide,1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-
    • 1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
    • 102996-38-3
    • 1H-Pyrazole-4-carboxamide, 1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-
    • 5-(trifluoromethyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxamide
    • 1-(2,4-Dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboximidic acid
    • SCHEMBL10850115
    • DTXSID30908146
    • 1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide
    • Inchi： 1S/C11H6Cl2F3N3O/c12-5-1-2-8(7(13)3-5)19-9(11(14,15)16)6(4-18-19)10(17)20/h1-4H,(H2,17,20)
    • InChI Key： WCSKQCOKKZNGJH-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C=CC=1N1C(C(F)(F)F)=C(C(N)=O)C=N1)Cl

Computed Properties

  • Exact Mass: 322.98418
  • Monoisotopic Mass: 322.984
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 382
  • 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: 2.9
  • Topological Polar Surface Area: 60.9?2

Experimental Properties

  • Density: 1.66
  • Boiling Point: 424.6°Cat760mmHg
  • Flash Point: 210.6°C
  • Refractive Index: 1.606
  • PSA: 60.91
  • LogP: 4.18100

1H-Pyrazole-4-carboxamide,1-(2,4-dichlorophenyl)-5-(trifluoromethyl)- Related Literature

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