Cas no 106898-42-4 (1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile)

1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile structure
106898-42-4 structure
Product Name:1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile
CAS No:106898-42-4
MF:C11H9ClN4
MW:232.66896033287
CID:2103351
PubChem ID:13746670
Update Time:2025-04-21

1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile
    • DA-20108
    • AKOS012582267
    • 106898-42-4
    • Inchi: 1S/C11H9ClN4/c12-10-4-2-1-3-8(10)7-16-11(14)9(5-13)6-15-16/h1-4,6H,7,14H2
    • InChI Key: MUTDBZOTWYIUGE-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1CN1C(=C(C#N)C=N1)N

Computed Properties

  • Exact Mass: 232.0515740Da
  • Monoisotopic Mass: 232.0515740Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 287
  • 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: 2.4
  • Topological Polar Surface Area: 67.6?2
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