Cas no 10234-66-9 (1-methyl-4,5-dihydro-1H-pyrazol-5-one)

1-methyl-4,5-dihydro-1H-pyrazol-5-one structure
10234-66-9 structure
Product Name:1-methyl-4,5-dihydro-1H-pyrazol-5-one
CAS No:10234-66-9
MF:C4H6N2O
MW:98.1032404899597
MDL:MFCD20229439
CID:822742
PubChem ID:10290752
Update Time:2025-04-19

1-methyl-4,5-dihydro-1H-pyrazol-5-one Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-1H-pyrazol-5(4H)-one
    • 1-methyl-2-pyrazolin-5-one
    • 1-methyl-5-pyrazolone
    • 1-methylpyrazolin-5-one
    • 2,4-dihydro-2-methyl-3H-pyrazol-3-one
    • 2-methyl-2,4-dihydro-3H-pyrazol-3-one
    • 2-methyl-2,4-dihydro-pyrazol-3-one
    • 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-
    • ACN-000990
    • AK128438
    • CTK0G7656
    • KB-219188
    • SureCN125942
    • 1-methyl-4,5-dihydro-1H-pyrazol-5-one
    • methyl-1h-pyrazol-5(4h)-one
    • NNZXDXMEXBYSRF-UHFFFAOYSA-N
    • 2-methyl-2,4-dihydropyrazol-3-one
    • 0601AA
    • NE57326
    • ST24038083
    • CS-0151202
    • AKOS016000947
    • 2-methyl-4H-pyrazol-3-one
    • 10234-66-9
    • MFCD20229439
    • EN300-108802
    • DTXSID10437803
    • O10424
    • DB-121865
    • MDL: MFCD20229439
    • Inchi: 1S/C4H6N2O/c1-6-4(7)2-3-5-6/h3H,2H2,1H3
    • InChI Key: NNZXDXMEXBYSRF-UHFFFAOYSA-N
    • SMILES: O=C1CC=NN1C

Computed Properties

  • Exact Mass: 98.04808
  • Monoisotopic Mass: 98.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 119
  • 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
  • Topological Polar Surface Area: 32.7
  • XLogP3: -0.6

Experimental Properties

  • Density: 1.22±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 112-114 oC
  • Boiling Point: 136.9±23.0 oC (760 Torr),
  • Flash Point: 36.6±22.6 oC,
  • Solubility: Soluble (264 g/l) (25 o C),
  • PSA: 32.67
  • LogP: -0.79220

1-methyl-4,5-dihydro-1H-pyrazol-5-one Security Information

1-methyl-4,5-dihydro-1H-pyrazol-5-one Pricemore >>

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