Cas no 62160-79-6 (1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl-)

1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl- structure
62160-79-6 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl-
CAS No:62160-79-6
MF:C17H14N2O2
MW:278.305263996124
CID:455916
PubChem ID:869081
Update Time:2025-04-19

1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl-
    • 1-(3-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
    • 1DZ
    • 1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
    • AKOS009156740
    • 5-Phenyl-1-(m-tolyl)-1H-pyrazole-3-carboxylic acid
    • 4luo
    • CHEMBL3088227
    • 62160-79-6
    • Oprea1_112599
    • Q27451960
    • DTXSID40357828
    • BDBM50443304
    • Inchi: 1S/C17H14N2O2/c1-12-6-5-9-14(10-12)19-16(11-15(18-19)17(20)21)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)
    • InChI Key: XDKDJRWOHMIRGN-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C2C=CC=CC=2)N(C2C=CC=C(C)C=2)N=1)=O

Computed Properties

  • Exact Mass: 278.10562
  • Monoisotopic Mass: 278.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 368
  • 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: 3.8
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12
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