Cas no 1214997-78-0 (4-Iodo-1-methyl-1H-pyrazole-3-carbaldehyde)

4-Iodo-1-methyl-1H-pyrazole-3-carbaldehyde is a versatile heterocyclic building block used in organic synthesis and pharmaceutical research. Its key structural features include an iodine substituent at the 4-position and a formyl group at the 3-position, making it a valuable intermediate for cross-coupling reactions, such as Suzuki or Sonogashira couplings, as well as further functionalization. The 1-methyl group enhances stability and influences reactivity patterns. This compound is particularly useful in the development of pyrazole-based scaffolds for medicinal chemistry applications, including kinase inhibitors and agrochemicals. Its high purity and well-defined reactivity profile ensure consistent performance in synthetic workflows.
4-Iodo-1-methyl-1H-pyrazole-3-carbaldehyde structure
1214997-78-0 structure
Product Name:4-Iodo-1-methyl-1H-pyrazole-3-carbaldehyde
CAS No:1214997-78-0
MF:C5H5IN2O
MW:236.010473012924
MDL:MFCD19704865
CID:822807
PubChem ID:53302348
Update Time:2025-06-07

4-Iodo-1-methyl-1H-pyrazole-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Iodo-1-methyl-1H-pyrazole-3-carbaldehyde
    • 4-iodo-1-methyl-1H-Pyrazole-3-carboxaldehyde
    • 4-iodo-1-methylpyrazole-3-carbaldehyde
    • DTXSID10693381
    • EN300-4263233
    • AT14258
    • DB-349390
    • STL587851
    • WLZ3437
    • Z1269158156
    • MFCD19704865
    • 1214997-78-0
    • SCHEMBL15277593
    • AKOS015915547
    • 1H-Pyrazole-3-carboxaldehyde, 4-iodo-1-methyl-
    • MDL: MFCD19704865
    • Inchi: 1S/C5H5IN2O/c1-8-2-4(6)5(3-9)7-8/h2-3H,1H3
    • InChI Key: SDWBNGXXAAJVJM-UHFFFAOYSA-N
    • SMILES: IC1C(C=O)=NN(C)C=1

Computed Properties

  • Exact Mass: 235.94466g/mol
  • Monoisotopic Mass: 235.94466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 120
  • 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: 0.7
  • Topological Polar Surface Area: 34.9?2

4-Iodo-1-methyl-1H-pyrazole-3-carbaldehyde Pricemore >>

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AB554217-100 mg
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AB554217-250 mg
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AB554217-500 mg
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