Cas no 1540024-40-5 (5-ethyl-1H-pyrazole-3-carbonitrile)

5-ethyl-1H-pyrazole-3-carbonitrile structure
1540024-40-5 structure
Product Name:5-ethyl-1H-pyrazole-3-carbonitrile
CAS No:1540024-40-5
MF:C6H7N3
MW:121.139880418777
CID:5831146
PubChem ID:82650961
Update Time:2024-01-13

5-ethyl-1H-pyrazole-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carbonitrile, 5-ethyl-
    • 5-Ethyl-1H-pyrazole-3-carbonitrile
    • 1540024-40-5
    • EN300-1293524
    • 5-ethyl-1H-pyrazole-3-carbonitrile
    • Inchi: 1S/C6H7N3/c1-2-5-3-6(4-7)9-8-5/h3H,2H2,1H3,(H,8,9)
    • InChI Key: GIOKUVXDWGQCRF-UHFFFAOYSA-N
    • SMILES: N1C(CC)=CC(C#N)=N1

Computed Properties

  • Exact Mass: 121.063997236g/mol
  • Monoisotopic Mass: 121.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 135
  • 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: 1.1
  • Topological Polar Surface Area: 52.5?2

Experimental Properties

  • Density: 1.15±0.1 g/cm3(Predicted)
  • Boiling Point: 302.5±22.0 °C(Predicted)
  • pka: 10.08±0.10(Predicted)

5-ethyl-1H-pyrazole-3-carbonitrile Pricemore >>

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