Cas no 1006333-18-1 (2-Methyl-3-(1H-pyrazol-1-yl)propanenitrile)

2-Methyl-3-(1H-pyrazol-1-yl)propanenitrile structure
1006333-18-1 structure
Product Name:2-Methyl-3-(1H-pyrazol-1-yl)propanenitrile
CAS No:1006333-18-1
MF:C7H9N3
MW:135.166460752487
MDL:MFCD06739344
CID:3056970
PubChem ID:19576702
Update Time:2025-04-21

2-Methyl-3-(1H-pyrazol-1-yl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-3-(1H-pyrazol-1-yl)propanenitrile
    • 2-METHYL-3-(PYRAZOL-1-YL)PROPANENITRILE
    • 2-methyl-3-pyrazol-1-ylpropanenitrile
    • 2-Methyl-3-pyrazol-1-yl-propionitrile
    • AKOS000312681
    • BBL040435
    • 1006333-18-1
    • CS-0272233
    • STK350462
    • EN300-230391
    • MDL： MFCD06739344
    • Inchi： 1S/C7H9N3/c1-7(5-8)6-10-4-2-3-9-10/h2-4,7H,6H2,1H3
    • InChI Key： YABQNVUEYPPHEH-UHFFFAOYSA-N
    • SMILES： N1(C=CC=N1)CC(C#N)C

Computed Properties

  • Exact Mass: 135.079647300Da
  • Monoisotopic Mass: 135.079647300Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 146
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 41.6?2

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