Cas no 1171526-62-7 (4-Bromo-1-isobutyl-3,5-dimethyl-1H-pyrazole)

4-Bromo-1-isobutyl-3,5-dimethyl-1H-pyrazole structure
1171526-62-7 structure
Product Name:4-Bromo-1-isobutyl-3,5-dimethyl-1H-pyrazole
CAS No:1171526-62-7
MF:C9H15BrN2
MW:231.132801294327
CID:1073540
PubChem ID:25219562
Update Time:2025-04-20

4-Bromo-1-isobutyl-3,5-dimethyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-isobutyl-3,5-dimethyl-1H-pyrazole
    • MFCD12027152
    • 4-bromo-3,5-dimethyl-1-(2-methylpropyl)pyrazole
    • AKOS000265588
    • 4-bromo-3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole
    • 4-bromo-1-isobutyl-3,5-dimethyl-1H-pyrazole(SALTDATA: FREE)
    • DTXSID50649266
    • 1171526-62-7
    • STK503840
    • E97807
    • MDL: MFCD12027152
    • Inchi: 1S/C9H15BrN2/c1-6(2)5-12-8(4)9(10)7(3)11-12/h6H,5H2,1-4H3
    • InChI Key: QTUJNLSDZPMEJO-UHFFFAOYSA-N
    • SMILES: BrC1C(C)=NN(C=1C)CC(C)C

Computed Properties

  • Exact Mass: 230.042
  • Monoisotopic Mass: 230.042
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 150
  • 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
  • Topological Polar Surface Area: 17.8A^2
  • XLogP3: 3

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