Cas no 926190-13-8 (1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde)

1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde is a fluorinated pyrazole derivative with a reactive aldehyde functional group, making it a versatile intermediate in organic synthesis. Its structure combines a 4-fluorophenyl moiety with a methyl-substituted pyrazole core, offering unique electronic and steric properties for applications in pharmaceuticals, agrochemicals, and material science. The presence of the aldehyde group enables further derivatization through condensation, reduction, or nucleophilic addition reactions. This compound is particularly valuable in the development of biologically active molecules due to its ability to serve as a scaffold for heterocyclic expansions. High purity and consistent quality ensure reliable performance in synthetic workflows.
1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde structure
926190-13-8 structure
Product Name:1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CAS No:926190-13-8
MF:C11H9FN2O
MW:204.200365781784
CID:3106503
PubChem ID:2118119
Update Time:2025-05-24

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

Names and Identifiers

    • 1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
    • NE24762
    • 926190-13-8
    • DTXSID501201989
    • EN300-07888
    • AKOS002433902
    • G23179
    • Z55928809
    • BMB19013
    • 1-(4-fluorophenyl)-3-methyl-1h-pyrazole-4-carboxaldehyde
    • 1-(4-fluorophenyl)-3-methylpyrazole-4-carbaldehyde
    • DTXCID001633422
    • 999-597-7
    • 1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
    • Inchi: 1S/C11H9FN2O/c1-8-9(7-15)6-14(13-8)11-4-2-10(12)3-5-11/h2-7H,1H3
    • InChI Key: QBIRXXWIZRAALG-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)N1C=C(C=O)C(C)=N1

Computed Properties

  • Exact Mass: 204.06989108g/mol
  • Monoisotopic Mass: 204.06989108g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 229
  • 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: 34.9
  • XLogP3: 1.9

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Additional information on 1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde

1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde (CAS No. 926190-13-8)

The compound 1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde (CAS No. 926190-13-8) is a highly specialized organic molecule with significant potential in various fields of chemistry and pharmacology. This compound belongs to the class of pyrazole derivatives, which have been extensively studied due to their unique chemical properties and biological activities. The structure of this molecule incorporates a pyrazole ring, a fluorophenyl group, and an aldehyde functional group, making it a versatile building block for further chemical modifications and applications.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of pyrazole derivatives like this compound. The incorporation of the fluorophenyl group introduces electronic and steric effects that enhance the molecule's reactivity and selectivity in various reactions. Additionally, the presence of the aldehyde group provides opportunities for further functionalization, such as condensation reactions or cross-coupling processes, which are crucial for developing complex molecular architectures.

In terms of biological activity, pyrazole derivatives have shown promising results in drug discovery programs targeting various diseases. For instance, recent studies have highlighted the potential of this compound as a modulator of protein-protein interactions, a critical area in therapeutic development. The ability to modulate such interactions could lead to innovative treatments for conditions like cancer, neurodegenerative diseases, and inflammatory disorders.

The synthesis of 1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde involves a multi-step process that combines principles from organic synthesis and catalysis. Key steps include the formation of the pyrazole ring through cyclization reactions, followed by functional group transformations to introduce the fluorophenyl and aldehyde groups. Researchers have optimized these steps to achieve high yields and purity levels, ensuring the compound's suitability for downstream applications.

From a materials science perspective, this compound has shown potential as a precursor for advanced materials such as coordination polymers or metal-organic frameworks (MOFs). The aldehyde group can act as a coordinating unit, enabling the formation of stable networks with metal ions. Such materials are being explored for applications in gas storage, catalysis, and sensing technologies.

Moreover, computational studies have provided valuable insights into the electronic properties and reactivity of this compound. Density functional theory (DFT) calculations have revealed that the fluorophenyl group significantly influences the molecule's electronic distribution, enhancing its ability to participate in π-interactions. These findings are particularly relevant for applications in supramolecular chemistry and nanotechnology.

In conclusion, 1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde (CAS No. 926190-13-8) is a versatile compound with diverse applications across multiple disciplines. Its unique structure and functional groups make it an invaluable tool for researchers in organic synthesis, pharmacology, and materials science. As ongoing research continues to uncover new properties and uses for this compound, its role in advancing scientific knowledge and technological innovation is expected to grow significantly.

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