Cas no 876-92-6 (1-Phenyl-1H-pyrazol-5(4H)-one)

1-Phenyl-1H-pyrazol-5(4H)-one structure
1-Phenyl-1H-pyrazol-5(4H)-one structure
Product Name:1-Phenyl-1H-pyrazol-5(4H)-one
CAS No:876-92-6
MF:C9H8N2O
MW:160.17262172699
CID:653461
PubChem ID:4351114
Update Time:2025-04-19

1-Phenyl-1H-pyrazol-5(4H)-one Chemical and Physical Properties

Names and Identifiers

    • 1-Phenyl-1H-pyrazol-5(4H)-one
    • 2-PHENYL-2H-PYRAZOLE-3(4H)-ONE
    • 2-phenyl-4H-pyrazol-3-one
    • 3H-Pyrazol-3-one, 2,4-dihydro-2-phenyl-
    • 1-Phenyl-2-pyrazolin-5-one
    • 1-Phenyl-5-pyrazolone
    • MDL: MFCD00462194
    • Inchi: 1S/C9H8N2O/c12-9-6-7-10-11(9)8-4-2-1-3-5-8/h1-5,7H,6H2
    • InChI Key: FTCOWMWIZNVSPP-UHFFFAOYSA-N
    • SMILES: O=C1CC=NN1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 160.063662883g/mol
  • Monoisotopic Mass: 160.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 207
  • 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
  • Topological Polar Surface Area: 32.7?2

Experimental Properties

  • Density: 1.20±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 118 oC
  • Boiling Point: 261.8±23.0 oC (760 Torr),
  • Flash Point: 112.1±22.6 oC,
  • Solubility: Slightly soluble (8.3 g/l) (25 o C),

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