Cas no 98476-09-6 (Ethyl 5-cyano-1-phenyl-1H-pyrazole-4-carboxylate)

Ethyl 5-cyano-1-phenyl-1H-pyrazole-4-carboxylate structure
98476-09-6 structure
Product Name:Ethyl 5-cyano-1-phenyl-1H-pyrazole-4-carboxylate
CAS No:98476-09-6
MF:C13H11N3O2
MW:241.245342493057
CID:94843
PubChem ID:13772968
Update Time:2025-04-18

Ethyl 5-cyano-1-phenyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-cyano-1-phenyl-1H-pyrazole-4-carboxylate
    • 5-CYANO-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • ethyl 5-cyano-1-phenylpyrazole-4-carboxylate
    • ethyl5-cyano-1-phenyl-1H-pyrazole-4-carboxylate
    • 98476-09-6
    • AMY11973
    • ethyl 5-cyano-1-phenyl-4-pyrazolecarboxylate
    • DTXSID00548997
    • F17250
    • LEVIYCDZXKNQPL-UHFFFAOYSA-N
    • FT-0704587
    • SCHEMBL10340537
    • AKOS015904582
    • Inchi: 1S/C13H11N3O2/c1-2-18-13(17)11-9-15-16(12(11)8-14)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
    • InChI Key: LEVIYCDZXKNQPL-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=NN(C=1C#N)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 241.085126602g/mol
  • Monoisotopic Mass: 241.085126602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 343
  • 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: 67.9?2

Experimental Properties

  • Density: 1.20
  • Melting Point: 74-75 oC

Ethyl 5-cyano-1-phenyl-1H-pyrazole-4-carboxylate Pricemore >>

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