Cas no 400900-22-3 (3-benzoyl-1-phenyl-1H-pyrazole-4-carbaldehyde)

3-benzoyl-1-phenyl-1H-pyrazole-4-carbaldehyde structure
400900-22-3 structure
Product Name:3-benzoyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS No:400900-22-3
MF:C17H12N2O2
MW:276.289383888245
CID:2631576
PubChem ID:3864538
Update Time:2025-04-21

3-benzoyl-1-phenyl-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-benzoyl-1-phenylpyrazole-4-carbaldehyde
    • 3-benzoyl-1-phenyl-1H-pyrazole-4-carbaldehyde
    • 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-
    • AKOS030620211
    • DTXSID00397568
    • Z56914833
    • 400900-22-3
    • EN300-05429
    • Inchi: 1S/C17H12N2O2/c20-12-14-11-19(15-9-5-2-6-10-15)18-16(14)17(21)13-7-3-1-4-8-13/h1-12H
    • InChI Key: COENFEHRONOGPX-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)C1C(C=O)=CN(C2C=CC=CC=2)N=1

Computed Properties

  • Exact Mass: 276.089877630Da
  • Monoisotopic Mass: 276.089877630Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 373
  • 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
  • Topological Polar Surface Area: 52?2

3-benzoyl-1-phenyl-1H-pyrazole-4-carbaldehyde Pricemore >>

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