Cas no 98476-14-3 (Ethyl 5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate)

Ethyl 5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate structure
98476-14-3 structure
Product Name:Ethyl 5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate
CAS No:98476-14-3
MF:C13H10FN3O2
MW:259.235805988312
CID:94887
PubChem ID:13772971
Update Time:2025-04-18

Ethyl 5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate
    • ethyl 5-cyano-1-(3-fluorophenyl)pyrazole-4-carboxylate
    • ethyl5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate
    • CSKMNGBSOPQKCU-UHFFFAOYSA-N
    • AKOS015904171
    • 98476-14-3
    • SCHEMBL10340606
    • DTXSID20548999
    • FT-0731377
    • ethyl 5-cyano-1-(3-fluorophenyl)-4-pyrazolecarboxylate
    • Inchi: 1S/C13H10FN3O2/c1-2-19-13(18)11-8-16-17(12(11)7-15)10-5-3-4-9(14)6-10/h3-6,8H,2H2,1H3
    • InChI Key: CSKMNGBSOPQKCU-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)N1C(C#N)=C(C(=O)OCC)C=N1

Computed Properties

  • Exact Mass: 259.07570473g/mol
  • Monoisotopic Mass: 259.07570473g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 381
  • 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: 2.3
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • Density: 1.27

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