Cas no 46413-67-6 (3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid)

3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid structure
46413-67-6 structure
Product Name:3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CAS No:46413-67-6
MF:C11H10N2O2
MW:202.209302425385
MDL:MFCD03030169
CID:324804
PubChem ID:818267
Update Time:2025-07-29

3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(p-Tolyl)-1H-pyrazole-3-carboxylic acid
    • 3-(4-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
    • 5-(4-methylphenyl)-1H-Pyrazole-3-carboxylic acid
    • BDBM50132133
    • CHEMBL341154
    • cid_818267
    • SMR000124591
    • J-510735
    • 3-(p-Tolyl)-1H-pyrazole-5-carboxylic acid
    • SCHEMBL15094586
    • AKOS000263469
    • 5-p-Tolyl-2H-pyrazole-3-carboxylic acid
    • A919127
    • AF-399/40987696
    • 5-(4-Methylphenyl)-1H-pyrazole-3-carboxylic acid, AldrichCPR
    • 3-p-tolyl-1h-pyrazole-5-carboxylic acid
    • VU0607278-1
    • AKOS000271407
    • A861340
    • BS-4122
    • 890007-12-2
    • Z57683741
    • MLS-0091963.0001
    • SCHEMBL1413993
    • AB20803
    • DTXSID10355932
    • 5-p-Tolyl-1H-pyrazole-3-carboxylic acid
    • FT-0677278
    • 5-(4-methylphenyl)-2H-pyrazole-3-carboxylic acid
    • EN300-26176
    • 3-(4-Methylphenyl)-1H-pyrazole-5-carboxylic acid, AldrichCPR
    • 46413-67-6
    • 5-(4-Methylphenyl)pyrazole-3-carboxylic Acid
    • F3250-0576
    • MFCD03030169
    • 1H-Pyrazole-5-carboxylic acid, 3-(4-methylphenyl)-
    • BB 0217970
    • 3-(p-Tolyl)-1H-pyrazole-5-carboxylicacid
    • MLS000124028
    • 3-(4-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLICACID
    • 3-p-Tolyl-1H-pyrazole-5-carboxylic acid, AldrichCPR
    • DB-306236
    • ALBB-006819
    • STK299946
    • 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
    • MDL: MFCD03030169
    • Inchi: 1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
    • InChI Key: BGTWUOQARPOYER-UHFFFAOYSA-N
    • SMILES: OC(C1=CC(C2C=CC(C)=CC=2)=NN1)=O

Computed Properties

  • Exact Mass: 202.074227566g/mol
  • Monoisotopic Mass: 202.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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: 2.1
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 489.6±33.0 °C at 760 mmHg
  • Flash Point: 202.0±29.3 °C

3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid Security Information

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