Cas no 873538-65-9 (1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-cyclopentyl-3-methyl-)

1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-cyclopentyl-3-methyl- structure
873538-65-9 structure
Product Name:1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-cyclopentyl-3-methyl-
CAS No:873538-65-9
MF:C10H13ClN2O
MW:212.676021337509
CID:1879777
PubChem ID:57698194
Update Time:2025-04-21

1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-cyclopentyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-cyclopentyl-3-methyl-
    • 5-chloro-1-cyclopentyl-3-methyl-1H-pyrazole-4-carbaldehyde
    • 873538-65-9
    • AKOS010516423
    • DB-382348
    • SCHEMBL854856
    • 5-Chloro-1-cyclopentyl-3-methyl-1H-pyrazole-4-carboxaldehyde
    • Inchi: 1S/C10H13ClN2O/c1-7-9(6-14)10(11)13(12-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
    • InChI Key: RTNJNAVGUOFSIO-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=O)C(C)=NN1C1CCCC1

Computed Properties

  • Exact Mass: 212.0716407Da
  • Monoisotopic Mass: 212.0716407Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 218
  • 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: 2.2
  • Topological Polar Surface Area: 34.9?2
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