Cas no 1015862-36-8 (1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile)

1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile is a fluorinated pyrazole derivative with a nitrile functional group, offering versatile reactivity for synthetic applications. Its structural features, including the electron-withdrawing fluorine substituent and the pyrazole core, make it a valuable intermediate in medicinal chemistry and agrochemical research. The nitrile group provides a handle for further functionalization, enabling the synthesis of heterocycles, amides, or carboxylic acids. The compound's stability and well-defined reactivity profile facilitate its use in cross-coupling reactions, cyclizations, and other transformations. Its purity and consistent performance make it suitable for high-precision applications in pharmaceutical and material science development.
1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile structure
1015862-36-8 structure
Product Name:1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile
CAS No:1015862-36-8
MF:C10H6FN3
MW:187.173144817352
CID:95213
PubChem ID:22421364
Update Time:2025-06-08

1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile
    • 1-(4-fluorophenyl)pyrazole-4-carbonitrile
    • CCG-125443
    • AKOS022172561
    • 1015862-36-8
    • DTXSID60625637
    • 1H-Pyrazole-4-carbonitrile, 1-(4-fluorophenyl)-
    • Inchi: 1S/C10H6FN3/c11-9-1-3-10(4-2-9)14-7-8(5-12)6-13-14/h1-4,6-7H
    • InChI Key: MEDIBGHAXJMOCQ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)N1C=C(C#N)C=N1

Computed Properties

  • Exact Mass: 187.05457537g/mol
  • Monoisotopic Mass: 187.05457537g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 239
  • 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: 41.6?2

Experimental Properties

  • Density: 1.23±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 168.0-169.0 oC
  • Solubility: Very slightly soluble (0.3 g/l) (25 o C),

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1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile Related Literature

Additional information on 1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile

Comprehensive Overview of 1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile (CAS No. 1015862-36-8)

1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile (CAS No. 1015862-36-8) is a fluorinated pyrazole derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its pyrazole core and 4-fluorophenyl substitution, serves as a versatile intermediate in the synthesis of biologically active molecules. Its unique structure, combining a nitrile group with a fluorinated aromatic ring, makes it a valuable scaffold for drug discovery and material science applications.

The growing interest in fluorinated compounds like 1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile stems from their enhanced metabolic stability and bioavailability, which are critical in modern medicinal chemistry. Researchers frequently explore its potential in targeting kinase inhibitors, anti-inflammatory agents, and antimicrobial compounds. The 4-fluorophenyl group is particularly noteworthy for its ability to modulate electronic properties, influencing binding affinity and selectivity in drug-receptor interactions.

In agrochemical applications, 1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile is investigated for its role in developing novel pesticides and herbicides. The pyrazole moiety is known to exhibit herbicidal and insecticidal activities, while the nitrile functionality can enhance systemic transport within plants. This dual functionality aligns with the industry's demand for eco-friendly and high-efficacy crop protection solutions.

From a synthetic perspective, the compound's CAS No. 1015862-36-8 is often referenced in patents and journals detailing heterocyclic chemistry methodologies. Its preparation typically involves palladium-catalyzed cross-coupling or cyclocondensation reactions, highlighting its relevance in cutting-edge organic synthesis. Researchers also leverage its electron-withdrawing properties to design fluorescence probes or organic semiconductors, bridging gaps between chemistry and materials science.

Environmental and regulatory considerations are increasingly shaping the discourse around fluorinated pyrazoles. While 1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile is not classified as hazardous, its persistence in ecosystems warrants studies on biodegradation pathways and green chemistry alternatives. This aligns with global trends emphasizing sustainable chemical design and reduced environmental footprint.

In summary, 1-(4-Fluorophenyl)-1H-pyrazole-4-carbonitrile (CAS No. 1015862-36-8) exemplifies the intersection of innovation and practicality in chemical research. Its applications span drug development, agrochemical innovation, and advanced material synthesis, making it a compound of enduring scientific and industrial relevance.

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