Cas no 225930-54-1 (Ethyl 3-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate)

Ethyl 3-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate structure
225930-54-1 structure
Product Name:Ethyl 3-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CAS No:225930-54-1
MF:C12H12ClN3O2
MW:265.695581436157
CID:1039940
PubChem ID:52107735
Update Time:2025-04-20

Ethyl 3-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
    • ethyl 3-amino-1-(4-chlorophenyl)pyrazole-4-carboxylate
    • AK-80838
    • ANW-68025
    • CTK8C2214
    • KB-252891
    • MolPort-008-430-072
    • DTXSID70680232
    • STL468924
    • AKOS016007236
    • DB-342951
    • 225930-54-1
    • Ethyl3-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
    • Inchi: 1S/C12H12ClN3O2/c1-2-18-12(17)10-7-16(15-11(10)14)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15)
    • InChI Key: SOKZEUVZNNZMSN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)N1C=C(C(=O)OCC)C(N)=N1

Computed Properties

  • Exact Mass: 265.0618043g/mol
  • Monoisotopic Mass: 265.0618043g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 295
  • 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: 2.9
  • Topological Polar Surface Area: 70.1?2

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