Cas no 847818-51-3 (1-(3-methylbutyl)pyrazole)

1-(3-methylbutyl)pyrazole structure
1-(3-methylbutyl)pyrazole structure
Product Name:1-(3-methylbutyl)pyrazole
CAS No:847818-51-3
MF:C8H14N2
MW:138.210161685944
CID:3162351
PubChem ID:21859714
Update Time:2025-04-21

1-(3-methylbutyl)pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(3-methylbutyl)pyrazole
    • A-2829;
    • MFCD12405510
    • AKOS010675842
    • 1H-Pyrazole, 1-(3-methylbutyl)-
    • BS-32858
    • SCHEMBL278529
    • 1-ISOPENTYL-1H-PYRAZOLE
    • DB-162644
    • CS-0211000
    • DTXSID20618924
    • 847818-51-3
    • 1-(3-METHYLBUTYL)-1H-PYRAZOLE
    • Inchi: 1S/C8H14N2/c1-8(2)4-7-10-6-3-5-9-10/h3,5-6,8H,4,7H2,1-2H3
    • InChI Key: RQCXTQFGXVIBOW-UHFFFAOYSA-N
    • SMILES: N1(C=CC=N1)CCC(C)C

Computed Properties

  • Exact Mass: 138.11600
  • Monoisotopic Mass: 138.115698455Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 91.3
  • 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: 1.2
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • PSA: 17.82000
  • LogP: 1.92920

1-(3-methylbutyl)pyrazole Pricemore >>

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