Cas no 1378271-66-9 (ethyl 3-chloro-1H-pyrazole-5-carboxylate)

Ethyl 3-chloro-1H-pyrazole-5-carboxylate is a versatile heterocyclic compound widely used as an intermediate in organic synthesis and pharmaceutical research. Its pyrazole core, functionalized with a chloro substituent and an ester group, enables diverse reactivity, making it valuable for constructing complex molecular frameworks. The compound exhibits stability under standard conditions, facilitating handling and storage. Its structural features allow for further derivatization, including nucleophilic substitution at the chloro position or hydrolysis/transformation of the ester group. This compound is particularly useful in agrochemical and medicinal chemistry applications, where pyrazole derivatives are known for their bioactivity. Its well-defined synthetic route ensures consistent purity and reproducibility for research and industrial use.
ethyl 3-chloro-1H-pyrazole-5-carboxylate structure
1378271-66-9 structure
Product Name:ethyl 3-chloro-1H-pyrazole-5-carboxylate
CAS No:1378271-66-9
MF:C6H7ClN2O2
MW:174.584980249405
MDL:MFCD28501269
CID:2951327
PubChem ID:10888430
Update Time:2025-06-08

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

Names and Identifiers

    • 5 -氯-1H -吡唑- 3 -羧酸乙酯
    • ethyl 3-chloro-1H-pyrazole-5-carboxylate
    • Ethyl 5-chloro-1H-pyrazole-3-carboxylate
    • SB12157
    • Ethyl5-chloro-1H-pyrazole-3-carboxylate
    • P15481
    • 5-Chloro-1H-pyrazole-3-carboxylic acid ethyl ester
    • 5-Chloro-2H-pyrazole-3-carboxylic acid ethyl ester
    • 1H-Pyrazole-3-carboxylic acid, 5-chloro-, ethyl ester
    • SCHEMBL20746019
    • ethyl 5-chloro-2H-pyrazole-3-carboxylate
    • SY099008
    • AS-52674
    • Ethyl 3-Chloropyrazole-5-carboxylate
    • MFCD28501269
    • 1378271-66-9
    • CS-0049486
    • AKOS027469877
    • MDL： MFCD28501269
    • Inchi： 1S/C6H7ClN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
    • InChI Key： WXRAGHWFXPRSLV-UHFFFAOYSA-N
    • SMILES： ClC1=CC(C(=O)OCC)=NN1

Computed Properties

  • Exact Mass: 174.0196052g/mol
  • Monoisotopic Mass: 174.0196052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 154
  • 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: 1.7
  • Topological Polar Surface Area: 55

ethyl 3-chloro-1H-pyrazole-5-carboxylate Pricemore >>

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