Cas no 912451-06-0 (1-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid)

1-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid structure
912451-06-0 structure
Product Name:1-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
CAS No:912451-06-0
MF:C9H14N2O2
MW:182.219662189484
CID:1029100
PubChem ID:24277236
Update Time:2025-04-20

1-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Isobutyl-1-methyl-1H-pyrazole-3-carboxylic acid
    • 1-methyl-5-(2-methylpropyl)-1H-Pyrazole-3-carboxylic acid
    • 1-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
    • 912451-06-0
    • DTXSID30640655
    • SCHEMBL730888
    • AKOS006303088
    • FT-0749881
    • 5-isobutyl-1-methyl-1H-pyrazole-3-carboxylicacid
    • 1H-Pyrazole-3-carboxylic acid, 1-methyl-5-(2-methylpropyl)-
    • DB-014580
    • G81242
    • 1-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
    • Inchi： 1S/C9H14N2O2/c1-6(2)4-7-5-8(9(12)13)10-11(7)3/h5-6H,4H2,1-3H3,(H,12,13)
    • InChI Key： WJUIZNDWTGUSEE-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(CC(C)C)N(C)N=1)=O

Computed Properties

  • Exact Mass: 182.105527694g/mol
  • Monoisotopic Mass: 182.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 194
  • 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: 1.7
  • Topological Polar Surface Area: 55.1?2

1-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid Pricemore >>

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