Cas no 109925-36-2 (1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethanone)

1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethanone structure
109925-36-2 structure
Product Name:1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethanone
CAS No:109925-36-2
MF:C13H14N2O2
MW:230.262463092804
CID:1189350
PubChem ID:20035436
Update Time:2025-04-20

1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethanone
    • SCHEMBL9674754
    • 1-(1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethan-1-one
    • 109925-36-2
    • DTXSID80601857
    • 1-(1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethanone
    • Inchi: 1S/C13H14N2O2/c1-9-12(10(2)16)13(15(3)14-9)17-11-7-5-4-6-8-11/h4-8H,1-3H3
    • InChI Key: HOOUYUKEXUNZRK-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1=C(C(C)=O)C(C)=NN1C

Computed Properties

  • Exact Mass: 230.105527694g/mol
  • Monoisotopic Mass: 230.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 277
  • 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: 2.2
  • Topological Polar Surface Area: 44.1?2
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