Cas no 53561-07-2 (1H-Pyrazole-4-carboxylic acid, 1,5-diphenyl-, ethyl ester)

1H-Pyrazole-4-carboxylic acid, 1,5-diphenyl-, ethyl ester structure
53561-07-2 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 1,5-diphenyl-, ethyl ester
CAS No:53561-07-2
MF:C18H16N2O2
MW:292.331844329834
CID:356972
PubChem ID:329816023
Update Time:2025-04-19

1H-Pyrazole-4-carboxylic acid, 1,5-diphenyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylic acid, 1,5-diphenyl-, ethyl ester
    • ETHYL 1,5-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLATE
    • ethyl 1,5-diphenylpyrazole-4-carboxylate
    • 1,5-Diphenyl-1H-pyrazol-4-carbonsaeure-aethylester
    • 1,5-diphenyl-1H-pyrazole-4-carboxylic acid ethyl ester
    • AC1MXEKZ
    • Bionet2_000688
    • CTK1G0668
    • ethyl 1,5-diphenyl-1H-pyrazol-4-carboxylate
    • HMS1365P06
    • HMS2318B15
    • SureCN4828987
    • MLS000540977
    • AKOS005089341
    • 3R-1030
    • DNBJQDUHQJKJCR-UHFFFAOYSA-N
    • SCHEMBL4828987
    • SMR000126035
    • 53561-07-2
    • Ethyl 1,5-diphenyl-1H-pyrazole-4-carboxylate, AldrichCPR
    • DTXSID20396098
    • CHEMBL1411242
    • ethyl1,5-diphenyl-1H-pyrazole-4-carboxylate
    • MFCD02186758
    • G70027
    • MDL: MFCD02186758
    • Inchi: 1S/C18H16N2O2/c1-2-22-18(21)16-13-19-20(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
    • InChI Key: DNBJQDUHQJKJCR-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=NN(C2C=CC=CC=2)C=1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 292.12128
  • Monoisotopic Mass: 292.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 362
  • 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: 3.8
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 462.6°C at 760 mmHg
  • Flash Point: 233.6°C
  • Refractive Index: 1.596
  • PSA: 44.12

1H-Pyrazole-4-carboxylic acid, 1,5-diphenyl-, ethyl ester Security Information

  • Hazardous Material transportation number:NONH for all modes of transport

1H-Pyrazole-4-carboxylic acid, 1,5-diphenyl-, ethyl ester Pricemore >>

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