Cas no 1197631-29-0 (3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid)

3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid structure
1197631-29-0 structure
Product Name:3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CAS No:1197631-29-0
MF:C12H12N2O2
MW:216.235882759094
MDL:MFCD05170048
CID:1072402
PubChem ID:4598704
Update Time:2025-07-27

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

Names and Identifiers

    • 5-(3,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid
    • 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
    • Z111781308
    • AKOS000266408
    • MLS-0091994.0001
    • EN300-133336
    • SCHEMBL1413940
    • BDBM45838
    • F3250-0624
    • 5-(3,4-Dimethyl-phenyl)-1H-pyrazole-3-carboxylic acid
    • cid_4598704
    • AKOS002657248
    • BS-10094
    • ALBB-004590
    • CHEMBL1570910
    • MFCD05170048
    • 1197631-29-0
    • STK501290
    • MDL： MFCD05170048
    • Inchi： 1S/C12H12N2O2/c1-7-3-4-9(5-8(7)2)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
    • InChI Key： KLZBOPQBGJBTRD-UHFFFAOYSA-N
    • SMILES： OC(C1=CC(C2C=CC(C)=C(C)C=2)=NN1)=O

Computed Properties

  • Exact Mass: 216.089877630g/mol
  • Monoisotopic Mass: 216.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 270
  • 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: 2.5
  • Topological Polar Surface Area: 66?2

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

  • HazardClass：IRRITANT

3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid Pricemore >>

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