Cas no 90648-18-3 (3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile)

3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile structure
90648-18-3 structure
Product Name:3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile
CAS No:90648-18-3
MF:C9H13N3
MW:163.219621419907
CID:4719383
Update Time:2023-08-16

3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanenitrile
    • STK503259
    • 3-(trimethylpyrazol-1-yl)propanenitrile
    • 3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile
    • Inchi: 1S/C9H13N3/c1-7-8(2)11-12(9(7)3)6-4-5-10/h4,6H2,1-3H3
    • InChI Key: BJOFVZOORDMPBQ-UHFFFAOYSA-N
    • SMILES: N1(CCC#N)C(C)=C(C)C(C)=N1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 193
  • Topological Polar Surface Area: 41.6
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