Cas no 1037816-85-5 (3-biphenyl-4-yl-1{H}-pyrazole-5-carboxylic acid)

3-biphenyl-4-yl-1{H}-pyrazole-5-carboxylic acid structure
1037816-85-5 structure
Product Name:3-biphenyl-4-yl-1{H}-pyrazole-5-carboxylic acid
CAS No:1037816-85-5
MF:C16H12N2O2
MW:264.278683662415
MDL:MFCD05170072
CID:1025315
PubChem ID:3880862
Update Time:2025-04-20

3-biphenyl-4-yl-1{H}-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Biphenyl-4-yl-1H-pyrazole-3-carboxylic acid
    • 5-([1,1'-Biphenyl]-4-yl)-1H-pyrazole-3-carboxylic acid
    • 5-(4-phenylphenyl)-2H-pyrazole-3-carboxylic Acid
    • AC1MYF7A
    • ANW-45008
    • CTK7J0813
    • F1967-0137
    • MolPort-003-823-778
    • MolPort-007-995-575
    • 3-biphenyl-4-yl-1{H}-pyrazole-5-carboxylic acid
    • DS-2028
    • AMY32313
    • 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid
    • AKOS005207381
    • AKOS009122249
    • 1037816-85-5
    • MFCD05170072
    • DB-001740
    • 5-Biphenyl-4-yl-1H-pyrazole-3-carboxylicacid
    • DTXSID90397734
    • 5-{[1,1'-biphenyl]-4-yl}-1H-pyrazole-3-carboxylic acid
    • EN300-236320
    • 5-(4-Phenylphenyl)-1H-pyrazole-3-carboxylic acid
    • MDL: MFCD05170072
    • Inchi: 1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
    • InChI Key: ASSWJYJXKAHOPX-UHFFFAOYSA-N
    • SMILES: OC(C1=CC(C2C=CC(=CC=2)C2C=CC=CC=2)=NN1)=O

Computed Properties

  • Exact Mass: 264.08996
  • Monoisotopic Mass: 264.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 333
  • 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: 3.4
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 595.0±38.0 °C at 760 mmHg
  • Flash Point: 313.7±26.8 °C
  • PSA: 65.98
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

3-biphenyl-4-yl-1{H}-pyrazole-5-carboxylic acid Security Information

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