Cas no 31272-05-6 (1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one)

1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one structure
31272-05-6 structure
Product Name:1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS No:31272-05-6
MF:C7H12N2O
MW:140.182981491089
CID:1446666
PubChem ID:10855544
Update Time:2025-04-20

1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-(1-methylethyl)-
    • 2-methyl-5-propan-2-yl-4H-pyrazol-3-one
    • DB-192029
    • 2,4-Dihydro-2-methyl-5-(1-methylethyl)-3h-pyrazol-3-one
    • 1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
    • 5-isopropyl-2-methyl-2,4-dihydro-3h-pyrazol-3-one
    • SCHEMBL3618042
    • 31272-05-6
    • 2,4-Dihydro-5-isopropyl-2-methyl-3H-pyrazol-3-one
    • G37630
    • EN300-68824
    • MFCD09028466
    • AKOS008956630
    • 3-isopropyl-1-methyl-1H-pyrazol-5(4H)-one
    • DTXSID60445933
    • Inchi： 1S/C7H12N2O/c1-5(2)6-4-7(10)9(3)8-6/h5H,4H2,1-3H3
    • InChI Key： WPQPFSSBBYCLEA-UHFFFAOYSA-N
    • SMILES： O=C1CC(C(C)C)=NN1C

Computed Properties

  • Exact Mass: 140.09506
  • Monoisotopic Mass: 140.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 184
  • 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: 0.8
  • Topological Polar Surface Area: 32.7?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 187.3±23.0 °C at 760 mmHg
  • Flash Point: 67.1±22.6 °C
  • PSA: 32.67
  • Vapor Pressure: 0.6±0.4 mmHg at 25°C

1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one Security Information

1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one Pricemore >>

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