Cas no 53685-84-0 (1,3,5-triphenylpyrazole-4-carboxylic Acid)

1,3,5-triphenylpyrazole-4-carboxylic Acid structure
53685-84-0 structure
Product Name:1,3,5-triphenylpyrazole-4-carboxylic Acid
CAS No:53685-84-0
MF:C22H16N2O2
MW:340.374645233154
CID:938970
PubChem ID:326977
Update Time:2025-04-19

1,3,5-triphenylpyrazole-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-triphenylpyrazole-4-carboxylic Acid
    • 1,3,5-Triphenyl-1H-pyrazol-4-carbonsaeure; NSC299904; CTK1H3933; SureCN4494401; AC1L6ZIS; 1,3,5-triphenyl-1H-pyrazole-4-carboxylic acid;
    • NSC299904
    • SCHEMBL4494401
    • 1,3,5-Triphenyl-1H-pyrazole-4-carboxylic acid
    • DTXSID40316132
    • 53685-84-0
    • NSC-299904
    • Inchi: 1S/C22H16N2O2/c25-22(26)19-20(16-10-4-1-5-11-16)23-24(18-14-8-3-9-15-18)21(19)17-12-6-2-7-13-17/h1-15H,(H,25,26)
    • InChI Key: GCTLKHDBDJHVPX-UHFFFAOYSA-N
    • SMILES: OC(C1C(C2C=CC=CC=2)=NN(C2C=CC=CC=2)C=1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 340.12128
  • Monoisotopic Mass: 340.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 465
  • 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: 4.7
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12
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