Cas no 118197-42-5 (ethyl 3-chloro-1-methyl-1H-pyrazole-4-carboxylate)

ethyl 3-chloro-1-methyl-1H-pyrazole-4-carboxylate structure
118197-42-5 structure
Product Name:ethyl 3-chloro-1-methyl-1H-pyrazole-4-carboxylate
CAS No:118197-42-5
MF:C7H9ClN2O2
MW:188.611560583115
CID:1207411
PubChem ID:13687029
Update Time:2025-04-20

ethyl 3-chloro-1-methyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylic acid, 3-chloro-1-methyl-, ethyl ester
    • ethyl 3-chloro-1-methylpyrazole-4-carboxylate
    • ethyl 3-chloro-1-methyl-1H-pyrazole-4-carboxylate
    • DTXSID20546753
    • 3-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
    • Ethyl3-chloro-1-methyl-1H-pyrazole-4-carboxylate
    • SCHEMBL7911428
    • AT10391
    • 118197-42-5
    • KADJPZFGDNHJES-UHFFFAOYSA-N
    • Inchi: 1S/C7H9ClN2O2/c1-3-12-7(11)5-4-10(2)9-6(5)8/h4H,3H2,1-2H3
    • InChI Key: KADJPZFGDNHJES-UHFFFAOYSA-N
    • SMILES: ClC1C(C(=O)OCC)=CN(C)N=1

Computed Properties

  • Exact Mass: 188.03537
  • Monoisotopic Mass: 188.0352552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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: 1.4
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • PSA: 44.12

ethyl 3-chloro-1-methyl-1H-pyrazole-4-carboxylate Pricemore >>

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