Cas no 1011470-70-4 (5-amino-1H-Pyrazole-4-pentanenitrile)

5-amino-1H-Pyrazole-4-pentanenitrile structure
1011470-70-4 structure
Product Name:5-amino-1H-Pyrazole-4-pentanenitrile
CAS No:1011470-70-4
MF:C8H12N4
MW:164.207680702209
CID:1096244
Update Time:2024-07-27

5-amino-1H-Pyrazole-4-pentanenitrile Chemical and Physical Properties

Names and Identifiers

    • 5-amino-1H-Pyrazole-4-pentanenitrile
    • 1H-Pyrazole-4-pentanenitrile, 3-amino-
    • Inchi： 1S/C8H12N4/c9-5-3-1-2-4-7-6-11-12-8(7)10/h6H,1-4H2,(H3,10,11,12)
    • InChI Key： YVFLDZOAIRMBNV-UHFFFAOYSA-N
    • SMILES： N1C=C(CCCCC#N)C(N)=N1

Computed Properties

  • Exact Mass: 164.106196g/mol
  • Monoisotopic Mass: 164.106196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 171
  • 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
  • Molecular Weight: 164.21g/mol
  • XLogP3: 0.7
  • Topological Polar Surface Area: 78.5?2

Experimental Properties

  • Density: 1.181±0.06 g/cm3(Predicted)
  • Boiling Point: 474.1±35.0 °C(Predicted)
  • pka: 16.00±0.50(Predicted)

5-amino-1H-Pyrazole-4-pentanenitrile Related Literature

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