Cas no 110821-33-5 (Ethyl 1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate)

Ethyl 1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate structure
110821-33-5 structure
Product Name:Ethyl 1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CAS No:110821-33-5
MF:C12H11ClN2O2
MW:250.680941820145
CID:95248
PubChem ID:13802157
Update Time:2025-04-18

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

Names and Identifiers

    • Ethyl 1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
    • ethyl 1-(4-chlorophenyl)pyrazole-4-carboxylate
    • 1-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
    • AUAPXECZFJCYSJ-UHFFFAOYSA-N
    • AKOS015899871
    • ETHYL1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
    • SCHEMBL8341099
    • 110821-33-5
    • DTXSID30549896
    • 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-, ethyl ester
    • DB-323031
    • Inchi: 1S/C12H11ClN2O2/c1-2-17-12(16)9-7-14-15(8-9)11-5-3-10(13)4-6-11/h3-8H,2H2,1H3
    • InChI Key: AUAPXECZFJCYSJ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)N1C=C(C(=O)OCC)C=N1

Computed Properties

  • Exact Mass: 250.05103
  • Monoisotopic Mass: 250.0509053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 267
  • 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: 2.7
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Density: 1.27±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 127-129 oC (ethanol )
  • Solubility: Very slightly soluble (0.35 g/l) (25 o C),
  • PSA: 44.12

Ethyl 1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate Pricemore >>

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