CAS 1004193-48-9

1-[(4-Fluorophenyl)methyl]-4-isothiocyanato-1H-pyrazole

Description:

1-[(4-Fluorophenyl)methyl]-4-isothiocyanato-1H-pyrazole is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with both a fluorophenyl group and an isothiocyanate functional group. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic addition reactions, making it of interest in various synthetic applications. The fluorophenyl moiety may influence the compound's electronic properties and biological activity, potentially enhancing its lipophilicity and modulating interactions with biological targets. This compound may exhibit specific pharmacological properties, making it relevant in medicinal chemistry and drug development. Additionally, its molecular structure indicates potential applications in agrochemicals or as a building block in organic synthesis. Safety and handling considerations are essential, as isothiocyanates can be irritants and may pose health risks. Overall, this compound represents a versatile structure with potential applications in both research and industry, warranting further investigation into its properties and uses.

Formula: C₁₁H₈FN₃S

InChI: InChI=1S/C11H8FN3S/c12-10-3-1-9(2-4-10)6-15-7-11(5-14-15)13-8-16/h1-5,7H,6H2

InChI key: InChIKey=PUCFGEJSESHZSK-UHFFFAOYSA-N

SMILES: C(N1C=C(N=C=S)C=N1)C2=CC=C(F)C=C2

Synonyms:

• 1H-Pyrazole, 1-[(4-fluorophenyl)methyl]-4-isothiocyanato-
• 1-[(4-Fluorophenyl)methyl]-4-isothiocyanato-1H-pyrazole