Cas no 1049772-84-0 (3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile)

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile is a synthetic compound with versatile applications in organic synthesis. This compound boasts a unique structure characterized by a difluoromethyl substituent, enhancing its reactivity. Its presence in the pyrazole ring facilitates various substitution reactions, making it a valuable intermediate for the preparation of diverse organic molecules. Its high purity and structural integrity make it suitable for advanced chemical synthesis, where selectivity and yield are crucial.
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile structure
1049772-84-0 structure
Product Name:3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile
CAS No:1049772-84-0
MF:C6H5F2N3
MW:157.120807409286
CID:2875045
PubChem ID:24993125
Update Time:2025-10-17

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile
    • 3-(difluoromethyl)-1-methylpyrazole-4-carbonitrile
    • 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile
    • Inchi： 1S/C6H5F2N3/c1-11-3-4(2-9)5(10-11)6(7)8/h3,6H,1H3
    • InChI Key： MLOOXLIVMUZBRJ-UHFFFAOYSA-N
    • SMILES： FC(C1C(C#N)=CN(C)N=1)F

Computed Properties

  • Exact Mass: 157.04515350 g/mol
  • Monoisotopic Mass: 157.04515350 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 186
  • 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
  • Molecular Weight: 157.12
  • XLogP3: 0.6
  • Topological Polar Surface Area: 41.6

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile Pricemore >>

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Chemenu
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Enamine
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Enamine
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