Cas no 1006348-47-5 (3-(1H-pyrazol-1-yl)butanenitrile)

3-(1H-pyrazol-1-yl)butanenitrile structure
1006348-47-5 structure
Product Name:3-(1H-pyrazol-1-yl)butanenitrile
CAS No:1006348-47-5
MF:C7H9N3
MW:135.166460752487
MDL:MFCD08558150
CID:3056966
PubChem ID:19616526
Update Time:2025-04-21

3-(1H-pyrazol-1-yl)butanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(1H-pyrazol-1-yl)butanenitrile
    • beta-Methyl-1H-pyrazole-1-propanenitrile
    • AKOS000313435
    • CS-0275742
    • 1006348-47-5
    • STK350864
    • 3-pyrazol-1-ylbutanenitrile
    • 3-(PYRAZOL-1-YL)BUTANENITRILE
    • DTXSID401285386
    • BBL040687
    • EN300-230752
    • SCHEMBL24988241
    • I(2)-Methyl-1H-pyrazole-1-propanenitrile
    • MDL: MFCD08558150
    • Inchi: 1S/C7H9N3/c1-7(3-4-8)10-6-2-5-9-10/h2,5-7H,3H2,1H3
    • InChI Key: QIYPJWZITYIHLC-UHFFFAOYSA-N
    • SMILES: N1(C=CC=N1)C(C)CC#N

Computed Properties

  • Exact Mass: 135.08
  • Monoisotopic Mass: 135.08
  • 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
  • Topological Polar Surface Area: 41.6A^2
  • XLogP3: 0.3

3-(1H-pyrazol-1-yl)butanenitrile Pricemore >>

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