Cas no 512845-63-5 (3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile)

3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile structure
512845-63-5 structure
Product Name:3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile
CAS No:512845-63-5
MF:C7H11N5
MW:165.195739984512
CID:362644
PubChem ID:10997394
Update Time:2025-04-19

3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-amino-5-(ethylamino)-1-methyl-1H-Pyrazole-4-carbonitrile
    • 1H-Pyrazole-4-carbonitrile, 3-amino-5-(ethylamino)-1-methyl-
    • 3-amino-5-(ethylamino)-1-methyl-pyrazole-4-carbonitrile
    • 3-amino-5-(ethylamino)-1-methylpyrazole-4-carbonitrile
    • DTXSID50451200
    • FT-0759551
    • 512845-63-5
    • Inchi: 1S/C7H11N5/c1-3-10-7-5(4-8)6(9)11-12(7)2/h10H,3H2,1-2H3,(H2,9,11)
    • InChI Key: RODMRYNSIJQIFA-UHFFFAOYSA-N
    • SMILES: N1(C)C(=C(C#N)C(N)=N1)NCC

Computed Properties

  • Exact Mass: 165.10163
  • Monoisotopic Mass: 165.10144537g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 195
  • 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: 0.8
  • Topological Polar Surface Area: 79.7?2

Experimental Properties

  • PSA: 79.66
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