Cas no 40711-33-9 (ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate)

ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate structure
40711-33-9 structure
Product Name:ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
CAS No:40711-33-9
MF:C6H8N2O3
MW:156.139321327209
MDL:MFCD20489429
CID:822748
PubChem ID:12847993
Update Time:2025-04-19

ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
    • ethyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
    • ethyl 5-hydroxy-1H-pyrazole-3-carboxylate
    • 5-Hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester
    • 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, ethyl ester
    • 3SIH379M21
    • 5-HYDROXY-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
    • 5-Oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester
    • ethyl ester2,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
    • ethyl 5-hydroxypyrazole-3-carboxylate
    • PubChem20550
    • 3-Ethoxycarbonyl-5-pyrazolone
    • 40711-33-9
    • Z1198219309
    • UNII-3SIH379M21
    • MFCD20489429
    • J3.244.198J
    • AC-30519
    • ETHYL5-HYDROXY-1H-PYRAZOLE-3-CARBOXYLATE
    • EN300-103971
    • ethyl 3-hydroxy-1H-pyrazole-5-carboxylate
    • SB12166
    • AB50344
    • AS-5269
    • DB-076296
    • FGCPAXRNQIOISG-UHFFFAOYSA-N
    • DA-16774
    • 85230-37-1
    • 1H-Pyrazole-3-carboxylic acid, 2,5-dihydro-5-oxo-, ethyl ester
    • FD10514
    • SCHEMBL692383
    • F2147-1825
    • AKOS005169149
    • MFCD09263987
    • DTXSID60511405
    • STK510258
    • Q27257981
    • AKOS016358880
    • SB40673
    • 3-Ethoxycarbonyl-5-hydroxypyrazole
    • AKOS016347343
    • SY042930
    • A1-00375
    • ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
    • MDL: MFCD20489429
    • Inchi: 1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h3H,2H2,1H3,(H2,7,8,9)
    • InChI Key: FGCPAXRNQIOISG-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC(NN1)=O)=O

Computed Properties

  • Exact Mass: 156.05349212g/mol
  • Monoisotopic Mass: 156.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 222
  • 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: 0.2
  • Topological Polar Surface Area: 67.4

Experimental Properties

  • Density: 1.272±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (19 g/l) (25 o C),

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