Cas no 1186137-01-8 (4-(3-chloropropyl)-1-methyl-1H-pyrazole)

4-(3-Chloropropyl)-1-methyl-1H-pyrazole is a versatile intermediate in organic synthesis, particularly valued for its reactive chloropropyl moiety and stable pyrazole backbone. The compound serves as a key building block in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals, enabling the introduction of functionalized alkyl chains into target molecules. Its structural features, including the nitrogen-rich heterocycle and alkyl halide group, facilitate further derivatization through nucleophilic substitution or cross-coupling reactions. The methyl group at the 1-position enhances stability, while the chloropropyl side chain offers flexibility for downstream modifications. This compound is particularly useful in medicinal chemistry for constructing biologically active scaffolds with tailored properties.
4-(3-chloropropyl)-1-methyl-1H-pyrazole structure
1186137-01-8 structure
Product Name:4-(3-chloropropyl)-1-methyl-1H-pyrazole
CAS No:1186137-01-8
MF:C7H11ClN2
MW:158.628640413284
MDL:MFCD16622221
CID:3159900
PubChem ID:47003665
Update Time:2025-06-07

4-(3-chloropropyl)-1-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-(3-chloropropyl)-1-methyl-1H-pyrazole
    • AKOS011896111
    • 1186137-01-8
    • 4-(3-chloropropyl)-1-methylpyrazole
    • CS-0300713
    • EN300-89518
    • STL584389
    • MDL: MFCD16622221
    • Inchi: 1S/C7H11ClN2/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4H2,1H3
    • InChI Key: XIMONARFMMNQBQ-UHFFFAOYSA-N
    • SMILES: ClCCCC1C=NN(C)C=1

Computed Properties

  • Exact Mass: 158.061
  • Monoisotopic Mass: 158.061
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 97.6
  • 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
  • Topological Polar Surface Area: 17.8A^2
  • XLogP3: 1.4

4-(3-chloropropyl)-1-methyl-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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AB502423-500 mg
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