Cas no 137-45-1 (3H-pyrazol-3-one)

3H-pyrazol-3-one structure
3H-pyrazol-3-one structure
Product Name:3H-pyrazol-3-one
CAS No:137-45-1
MF:C3H4N2O
MW:84.07666015625
MDL:MFCD00629300
CID:159854
PubChem ID:351317
Update Time:2025-09-18

3H-pyrazol-3-one Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazol-3(2H)-one
    • 1,2-DIHYDRO-3H-PYRAZOL-3-ONE
    • 3H-Pyrazol-3-one,1,2-dihydro-
    • NSC 520837
    • 3-Pyrazolone
    • Pyrazol-3-ol
    • Pyrazol-5-ol
    • 1H-Pyrazol-3-one
    • 3H-pyrazol-3-one
    • 4-Pyrazolin-3-one
    • 3-Hydroxypyrazole
    • 1,2-dihydropyrazol-3-on
    • 1,2-dihydropyrazol-3-one
    • 1H-Pyrazol-3-ol
    • 1H-Pyrazol-5-ol
    • 2H-Pyrazol-3-ol
    • Pyrazolinone
    • 5-Hydroxy-pyrazole
    • 5-hydroxypyrazole
    • 3H-Pyrazol-3-one, 1,2-dihydro-
    • Hydroxypyrazole
    • pyrazole-3-ol
    • 1h-pyrazole-3-ol
    • NSC520837
    • 3-Pyrazolin-5-one
    • Pyrazolone, dihydro-
    • PubChem23624
    • PubChem23482
    • 3-hydroxy-1H-pyrazole
    • 5-Hydroxy-1H-pyrazole
    • 1H-Pyrazolol (9CI)
    • 1H-Pyrazol-3(2
    • CHEMBL4227850
    • 2,3-dihydro-1H-pyrazol-3-one
    • F17284
    • MFCD20527386
    • 1,2-dihydro-pyrazol-3-one
    • 60456-92-0
    • AMY4993
    • AMY11929
    • MFCD00629300
    • FT-0719879
    • s10713
    • 137-45-1
    • J-504719
    • SY022755
    • 60456-93-1
    • F30274
    • EN300-96644
    • pyrazoline-5-one
    • NSC-520837
    • DTXSID90929655
    • XBYRMPXUBGMOJC-UHFFFAOYSA-N
    • AKOS004910360
    • AS-5517
    • 3H-Pyrazol-3-one,2-dihydro-
    • AKOS015854124
    • SS-4955
    • D5840
    • CS-W004179
    • U35JHQ8347
    • AKOS006271398
    • Z1198154338
    • A868975
    • NS00056330
    • pyrazole, 2,3-dihydro-3-oxo-
    • DA-16737
    • DB-261133
    • MDL: MFCD00629300
    • Inchi: 1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)
    • InChI Key: XBYRMPXUBGMOJC-UHFFFAOYSA-N
    • SMILES: O=C1C=CNN1

Computed Properties

  • Exact Mass: 84.03240
  • Monoisotopic Mass: 84.032362755 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 97
  • 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
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: -0.3
  • Topological Polar Surface Area: 41.1
  • Molecular Weight: 84.08

Experimental Properties

  • Boiling Point: 326.1°C at 760 mmHg
  • PSA: 48.65000
  • LogP: -0.29700

3H-pyrazol-3-one Security Information

3H-pyrazol-3-one Pricemore >>

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