Cas no 73773-25-8 (1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester)

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester structure
73773-25-8 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester
CAS No:73773-25-8
MF:C13H14N2O2
MW:230.262463092804
CID:542008
PubChem ID:60211008
Update Time:2025-04-19

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester
    • methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
    • 73773-25-8
    • AKOS007968191
    • DTXSID60733887
    • Methyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
    • Z25453050
    • SCHEMBL15153224
    • Inchi: 1S/C13H14N2O2/c1-9-12(13(16)17-3)10(2)15(14-9)11-7-5-4-6-8-11/h4-8H,1-3H3
    • InChI Key: KAEPSCXMKSXLKM-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C(C)=NN(C2C=CC=CC=2)C=1C)=O

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: 2.8
  • Topological Polar Surface Area: 44.1?2
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