Cas no 167873-90-7 (1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-phenyl-)

1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-phenyl- structure
167873-90-7 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-phenyl-
CAS No:167873-90-7
MF:C16H11ClN2O2
MW:298.723742723465
CID:1348856
PubChem ID:1477229
Update Time:2025-04-20

1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-phenyl-
    • CHEMBL1310673
    • MLS000755181
    • SCHEMBL4500796
    • 4N-549S
    • SMR000338056
    • 167873-90-7
    • 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylicacid
    • AKOS005092864
    • Oprea1_699159
    • 5-(4-chlorophenyl)-1-phenylpyrazole-3-carboxylic acid
    • 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
    • HMS2646E09
    • Inchi: 1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)15-10-14(16(20)21)18-19(15)13-4-2-1-3-5-13/h1-10H,(H,20,21)
    • InChI Key: MYDWMNUDBWOOMP-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1=CC(C(=O)O)=NN1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 298.05103
  • Monoisotopic Mass: 298.0509053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 365
  • 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: 4
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 517.9±40.0 °C at 760 mmHg
  • Flash Point: 267.0±27.3 °C
  • PSA: 55.12
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-phenyl- Security Information

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