Cas no 139297-50-0 (ethyl 5-methoxy-1-methyl-1H-pyrazole-3-carboxylate)

ethyl 5-methoxy-1-methyl-1H-pyrazole-3-carboxylate structure
139297-50-0 structure
Product Name:ethyl 5-methoxy-1-methyl-1H-pyrazole-3-carboxylate
CAS No:139297-50-0
MF:C8H12N2O3
MW:184.192481994629
CID:1276167
PubChem ID:14987888
Update Time:2025-07-28

ethyl 5-methoxy-1-methyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-methyl-, ethyl ester
    • Ethyl5-methoxy-1-methyl-1H-pyrazole-3-carboxylate
    • DB-207147
    • Ethyl 5-methoxy-1-methyl-1H-pyrazole-3-carboxylate
    • ethyl 5-methoxy-1-methylpyrazole-3-carboxylate
    • 139297-50-0
    • SCHEMBL19635920
    • 5-Methoxy-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
    • CS-0337449
    • ethyl 5-methoxy-1-methyl-1H-pyrazole-3-carboxylate
    • Inchi: 1S/C8H12N2O3/c1-4-13-8(11)6-5-7(12-3)10(2)9-6/h5H,4H2,1-3H3
    • InChI Key: OWMJYDBDDKDJGA-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(C(=O)OCC)=NN1C

Computed Properties

  • Exact Mass: 184.08486
  • Monoisotopic Mass: 184.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 186
  • 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: 1.1
  • Topological Polar Surface Area: 53.4?2

Experimental Properties

  • Density: 1.18±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 289.6±20.0 oC (760 Torr),
  • Flash Point: 128.9±21.8 oC,
  • Solubility: Slightly soluble (2.6 g/l) (25 o C),
  • PSA: 53.35
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

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