Cas no 98476-29-0 (Ethyl 5-cyano-1-(p-tolyl)-1H-pyrazole-4-carboxylate)

Ethyl 5-cyano-1-(p-tolyl)-1H-pyrazole-4-carboxylate structure
98476-29-0 structure
Product Name:Ethyl 5-cyano-1-(p-tolyl)-1H-pyrazole-4-carboxylate
CAS No:98476-29-0
MF:C14H13N3O2
MW:255.271922826767
CID:94847
PubChem ID:13772970
Update Time:2025-04-18

Ethyl 5-cyano-1-(p-tolyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-cyano-1-(p-tolyl)-1H-pyrazole-4-carboxylate
    • 5-CYANO-1-P-TOLYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • ethyl 5-cyano-1-(4-methylphenyl)pyrazole-4-carboxylate
    • ethyl 5-cyano-1-(4-methylphenyl)-4-pyrazolecarboxylate
    • FT-0718089
    • 98476-29-0
    • QNLWYPHPPPTTNM-UHFFFAOYSA-N
    • SCHEMBL10340591
    • ethyl 5-cyano-1-(4-methylphenyl)-4 pyrazolecarboxylate
    • Ethyl5-cyano-1-(p-tolyl)-1H-pyrazole-4-carboxylate
    • Ethyl 5-cyano-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
    • DTXSID60548998
    • AKOS015909180
    • DB-080534
    • Inchi: 1S/C14H13N3O2/c1-3-19-14(18)12-9-16-17(13(12)8-15)11-6-4-10(2)5-7-11/h4-7,9H,3H2,1-2H3
    • InChI Key: QNLWYPHPPPTTNM-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=NN(C=1C#N)C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 255.100776666g/mol
  • Monoisotopic Mass: 255.100776666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 368
  • 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: 2.5
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • Density: 1.18
  • Boiling Point: 430.1 °C at 760 mmHg
  • Flash Point: 213.9 °C

Ethyl 5-cyano-1-(p-tolyl)-1H-pyrazole-4-carboxylate Pricemore >>

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