Cas no 1005592-59-5 (ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoate)

Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoate is a pyrazole-derived ester compound with applications in organic synthesis and agrochemical research. Its structure features a chloro-substituted pyrazole ring coupled with an ethyl butanoate moiety, offering versatility as an intermediate in the development of heterocyclic compounds. The presence of chloro and methyl groups enhances its reactivity, making it useful for further functionalization. This compound exhibits stability under standard handling conditions and is soluble in common organic solvents, facilitating its use in laboratory-scale reactions. Its precise molecular architecture allows for targeted modifications, supporting its role in the synthesis of specialized chemicals, including potential bioactive agents.
ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoate structure
1005592-59-5 structure
Product Name:ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoate
CAS No:1005592-59-5
MF:C11H17ClN2O2
MW:244.717881917953
MDL:MFCD04969158
CID:3059113
PubChem ID:17024876
Update Time:2025-06-06

ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoate Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-butyric acid ethyl ester
    • ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoate
    • 1005592-59-5
    • AKOS000309344
    • CS-0283485
    • ethyl2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoate
    • BBL039370
    • EN300-229354
    • ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoate
    • STK313386
    • MDL： MFCD04969158
    • Inchi： 1S/C11H17ClN2O2/c1-5-9(11(15)16-6-2)14-8(4)10(12)7(3)13-14/h9H,5-6H2,1-4H3
    • InChI Key： RDBKXUMHEHBBHD-UHFFFAOYSA-N
    • SMILES： ClC1C(C)=NN(C=1C)C(C(=O)OCC)CC

Computed Properties

  • Exact Mass: 244.0978555Da
  • Monoisotopic Mass: 244.0978555Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 250
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 44.1?2

ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoate Pricemore >>

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