Cas no 1177347-82-8 (5-Methyl-1-propyl-1H-pyrazole-4-carbonitrile)

5-Methyl-1-propyl-1H-pyrazole-4-carbonitrile is a heterocyclic organic compound featuring a pyrazole core substituted with a methyl group at the 5-position, a propyl group at the 1-position, and a nitrile functional group at the 4-position. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceuticals and agrochemicals. The nitrile group offers reactivity for further functionalization, while the pyrazole scaffold contributes to its potential biological activity. Its well-defined molecular framework ensures consistency in research and industrial processes. The compound is typically characterized by high purity and stability, making it suitable for precise chemical synthesis and exploratory studies in medicinal chemistry.
5-Methyl-1-propyl-1H-pyrazole-4-carbonitrile structure
1177347-82-8 structure
Product Name:5-Methyl-1-propyl-1H-pyrazole-4-carbonitrile
CAS No:1177347-82-8
MF:C8H11N3
MW:149.193041086197
MDL:MFCD10686601
CID:1087456
PubChem ID:28064960
Update Time:2025-06-07

5-Methyl-1-propyl-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-1-propyl-1H-pyrazole-4-carbonitrile
    • BS-39847
    • 5-methyl-1-propylpyrazole-4-carbonitrile
    • MFCD10686601
    • CS-0339011
    • DTXSID101258821
    • AKOS006304090
    • 1177347-82-8
    • MDL: MFCD10686601
    • Inchi: 1S/C8H11N3/c1-3-4-11-7(2)8(5-9)6-10-11/h6H,3-4H2,1-2H3
    • InChI Key: GDKFXUIDXJBRGN-UHFFFAOYSA-N
    • SMILES: N1(C(C)=C(C#N)C=N1)CCC

Computed Properties

  • Exact Mass: 149.095297364g/mol
  • Monoisotopic Mass: 149.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 169
  • 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: 41.6?2

5-Methyl-1-propyl-1H-pyrazole-4-carbonitrile Pricemore >>

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