Cas no 5880-54-6 (3-(biphenyl-4-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid)

3-(biphenyl-4-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid structure
5880-54-6 structure
Product Name:3-(biphenyl-4-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS No:5880-54-6
MF:C22H16N2O2
MW:340.374645233154
CID:1612702
PubChem ID:876834
Update Time:2025-04-21

3-(biphenyl-4-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(biphenyl-4-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid
    • EN300-55987
    • 3-([1,1'-Biphenyl]-4-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid
    • Z56787600
    • 1-phenyl-3-(4-phenylphenyl)pyrazole-4-carboxylic Acid
    • 1-phenyl-3-(4-phenylphenyl)-1H-pyrazole-4-carboxylicacid
    • CB00341
    • AKOS001010623
    • 371776-57-7
    • 1-phenyl-3-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
    • SMSF0009111
    • 3-{[1,1'-biphenyl]-4-yl}-1-phenyl-1H-pyrazole-4-carboxylic acid
    • DTXSID70974320
    • 5880-54-6
    • Inchi: 1S/C22H16N2O2/c25-22(26)20-15-24(19-9-5-2-6-10-19)23-21(20)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H,(H,25,26)
    • InChI Key: PGXDNXZAXCIRCM-UHFFFAOYSA-N
    • SMILES: OC(C1=CN(C2C=CC=CC=2)N=C1C1C=CC(C2C=CC=CC=2)=CC=1)=O

Computed Properties

  • Exact Mass: 340.12128
  • Monoisotopic Mass: 340.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 463
  • 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

  • Density: 1.2
  • Boiling Point: 562.3°C at 760 mmHg
  • Flash Point: 293.9°C
  • Refractive Index: 1.644
  • PSA: 55.12
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