Cas no 35000-63-6 (3H-Pyrazol-3-one, 1-cyclohexyl-1,2-dihydro-)

3H-Pyrazol-3-one, 1-cyclohexyl-1,2-dihydro- structure
35000-63-6 structure
Product Name:3H-Pyrazol-3-one, 1-cyclohexyl-1,2-dihydro-
CAS No:35000-63-6
MF:C9H14N2O
MW:166.220262050629
CID:1471395
PubChem ID:20464003
Update Time:2025-04-20

3H-Pyrazol-3-one, 1-cyclohexyl-1,2-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrazol-3-one, 1-cyclohexyl-1,2-dihydro-
    • 1-Cyclohexyl-1,2-dihydro-3H-pyrazol-3-one
    • SCHEMBL11054514
    • 1-cyclohexyl-1H-pyrazole-3-ol
    • 35000-63-6
    • XDJCDCSISYCXPC-UHFFFAOYSA-N
    • Inchi: 1S/C9H14N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,12)
    • InChI Key: XDJCDCSISYCXPC-UHFFFAOYSA-N
    • SMILES: O=C1C=CN(C2CCCCC2)N1

Computed Properties

  • Exact Mass: 166.11072
  • Monoisotopic Mass: 166.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • 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
  • Topological Polar Surface Area: 32.3A^2
  • XLogP3: 1.7

Experimental Properties

  • PSA: 32.34

3H-Pyrazol-3-one, 1-cyclohexyl-1,2-dihydro- Pricemore >>

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