Cas no 87838-35-5 (1H-Pyrazole-5-carboxaldehyde, 1,3-diphenyl-)

1H-Pyrazole-5-carboxaldehyde, 1,3-diphenyl- structure
87838-35-5 structure
Product Name:1H-Pyrazole-5-carboxaldehyde, 1,3-diphenyl-
CAS No:87838-35-5
MF:C16H12N2O
MW:248.27928352356
CID:651835
PubChem ID:15585031
Update Time:2025-04-19

1H-Pyrazole-5-carboxaldehyde, 1,3-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-5-carboxaldehyde, 1,3-diphenyl-
    • 2,5-diphenylpyrazole-3-carbaldehyde
    • 1,3-Diphenyl-1H-pyrazole-5-carbaldehyde
    • DTXSID30575074
    • 87838-35-5
    • Inchi: 1S/C16H12N2O/c19-12-15-11-16(13-7-3-1-4-8-13)17-18(15)14-9-5-2-6-10-14/h1-12H
    • InChI Key: YPXPQYROPWAWLK-UHFFFAOYSA-N
    • SMILES: O=CC1=CC(C2C=CC=CC=2)=NN1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 248.094963011g/mol
  • Monoisotopic Mass: 248.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 295
  • 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: 3.3
  • Topological Polar Surface Area: 34.9?2
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