Cas no 618098-45-6 (3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE)

3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE is a fluorinated pyrazole derivative featuring a carbaldehyde functional group at the 4-position. This compound is of interest in synthetic organic chemistry due to its versatile reactivity, particularly in the formation of heterocyclic structures and as a precursor for further functionalization. The presence of both a fluorophenyl and p-tolyl substituent enhances its utility in medicinal chemistry research, where such motifs are often explored for their potential bioactivity. Its well-defined structure and high purity make it suitable for applications in pharmaceutical intermediates and material science. The compound exhibits stability under standard handling conditions, facilitating its use in diverse synthetic pathways.
3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE structure
618098-45-6 structure
Product Name:3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No:618098-45-6
MF:C17H13FN2O
MW:280.296327352524
MDL:MFCD05150376
CID:955326
PubChem ID:4356289
Update Time:2025-10-29

3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE Chemical and Physical Properties

Names and Identifiers

    • 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE
    • 3-(4-FLUOROPHENYL)-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
    • 3-(4-Fluorophenyl)-1-(4-methylphenyl)-1H-pyrazole-4-carboxaldehyde
    • 3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
    • Z381383948
    • DTXSID001163756
    • 618098-45-6
    • EN300-202817
    • AKOS009307642
    • CS-0238942
    • G53589
    • 3-(4-Fluorophenyl)-1-(p-tolyl)-1H-pyrazole-4-carbaldehyde
    • MDL: MFCD05150376
    • Inchi: 1S/C17H13FN2O/c1-12-2-8-16(9-3-12)20-10-14(11-21)17(19-20)13-4-6-15(18)7-5-13/h2-11H,1H3
    • InChI Key: PHMDMVGDKSYMHR-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1C(C=O)=CN(C2C=CC(C)=CC=2)N=1

Computed Properties

  • Exact Mass: 280.10100
  • Monoisotopic Mass: 280.10119120g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 349
  • 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: 3.5
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • PSA: 34.89000
  • LogP: 3.79930

3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE Pricemore >>

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Additional information on 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE

3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE: A Comprehensive Overview

3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE, also known by its CAS number 618098-45-6, is a fascinating compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyrazole derivatives, which are widely studied for their diverse biological activities and potential applications in drug discovery. The molecule features a pyrazole ring system, which is a five-membered heterocycle containing two nitrogen atoms, making it highly versatile in terms of reactivity and functionalization.

The structure of 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE consists of a pyrazole core with substituents at positions 3 and 1. At position 3, there is a 4-fluorophenyl group, while position 1 is substituted with a p-tolyl group. Additionally, the compound bears an aldehyde group at position 4 of the pyrazole ring. This unique combination of substituents contributes to the compound's distinct chemical properties and biological activities.

Recent studies have highlighted the potential of pyrazole derivatives like 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE in various therapeutic areas. For instance, researchers have explored its anti-inflammatory, antioxidant, and anticancer properties. The presence of the aldehyde group at position 4 is particularly intriguing, as it can participate in various chemical reactions, such as condensation reactions with amines or nucleophiles, leading to the formation of imine derivatives. These derivatives have shown promise in targeting specific biological pathways associated with diseases like cancer and neurodegenerative disorders.

In terms of synthesis, 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE can be prepared through a variety of methods, including cyclization reactions and coupling strategies. One common approach involves the condensation of appropriate aldehydes with hydrazines or their derivatives to form the pyrazole ring. The substitution pattern on the pyrazole ring can be tailored to optimize the compound's solubility, stability, and bioavailability for pharmacological applications.

The fluorophenyl substituent at position 3 introduces electronic effects that can modulate the compound's reactivity and selectivity. Fluorine atoms are known for their ability to enhance lipophilicity and improve drug-like properties such as absorption and distribution. Similarly, the p-tolyl group at position 1 contributes to the molecule's hydrophobicity and may play a role in its interactions with biological targets.

Recent advancements in computational chemistry have enabled researchers to predict the binding affinities of 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE to various protein targets. Molecular docking studies have revealed potential interactions with enzymes involved in inflammation and cancer progression, suggesting its role as a lead compound for drug development.

In addition to its therapeutic potential, this compound has also been investigated for its role in chemical synthesis as an intermediate for constructing more complex molecules. The aldehyde functionality makes it an attractive candidate for forming imine bonds or other conjugated systems that are essential in building bioactive molecules.

In conclusion, 3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE, with its unique structure and versatile functional groups, represents a valuable addition to the arsenal of compounds being explored for their therapeutic potential. As research continues to uncover new applications and mechanisms of action for this compound, it is likely to play an increasingly important role in both academic research and industrial drug development.

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