Cas no 96722-68-8 (1H-Pyrazole-3,4-dicarboxylicacid, 1-(4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl ester)

1H-Pyrazole-3,4-dicarboxylicacid, 1-(4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl ester structure
96722-68-8 structure
Product Name:1H-Pyrazole-3,4-dicarboxylicacid, 1-(4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl ester
CAS No:96722-68-8
MF:C21H20N2O4
MW:364.394505500793
CID:813654
PubChem ID:178853
Update Time:2025-04-19

1H-Pyrazole-3,4-dicarboxylicacid, 1-(4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3,4-dicarboxylicacid, 1-(4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl ester
    • 4-O-ethyl 3-O-methyl 1-(4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylate
    • 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-methylphenyl)-5-phenyl-, Ethyl Methyl Ester
    • DTXSID70242410
    • 96722-68-8
    • Inchi： 1S/C21H20N2O4/c1-4-27-20(24)17-18(21(25)26-3)22-23(16-12-10-14(2)11-13-16)19(17)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
    • InChI Key： NVWGAZWFQMZSDD-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C(C(=O)OC)=NN(C2C=CC(C)=CC=2)C=1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 364.142
  • Monoisotopic Mass: 364.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 512
  • 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: 4.3
  • Topological Polar Surface Area: 70.4?2

Experimental Properties

  • Density: 1.19
  • Boiling Point: 513.2°C at 760 mmHg
  • Flash Point: 264.2°C
  • Refractive Index: 1.586

1H-Pyrazole-3,4-dicarboxylicacid, 1-(4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl ester Related Literature

96722-68-8 (1H-Pyrazole-3,4-dicarboxylicacid, 1-(4-methylphenyl)-5-phenyl-, 4-ethyl 3-methyl ester) Related Products

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