Cas no 1006343-68-5 (3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile)

3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile structure
1006343-68-5 structure
Product Name:3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile
CAS No:1006343-68-5
MF:C8H8F3N3
MW:203.16443157196
MDL:MFCD05861675
CID:1128260
PubChem ID:19616372
Update Time:2025-09-22

3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-[5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propanenitrile
    • 3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile
    • EN300-230065
    • 1006343-68-5
    • AKOS000311376
    • BBL040157
    • 3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanenitrile
    • CS-0440115
    • STK349940
    • 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
    • Z1269244946
    • MDL: MFCD05861675
    • Inchi: 1S/C8H8F3N3/c1-6-5-7(8(9,10)11)13-14(6)4-2-3-12/h5H,2,4H2,1H3
    • InChI Key: ZVOIMOLHZIHAIE-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)N(CCC#N)N=1)(F)F

Computed Properties

  • Exact Mass: 203.06703175g/mol
  • Monoisotopic Mass: 203.06703175g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 242
  • 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

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