CAS 1004194-50-6

4-Chloro-1-[(2-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole

Description:

4-Chloro-1-[(2-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole is a chemical compound characterized by its unique structural features, including a pyrazole ring, a chloro substituent, and an isothiocyanate functional group. The presence of the 2-fluorophenyl group contributes to its potential reactivity and biological activity. This compound is typically used in research and development, particularly in the fields of medicinal chemistry and agrochemicals, due to its potential as a bioactive agent. The isothiocyanate group is known for its reactivity, allowing for various chemical transformations and interactions with biological targets. Additionally, the chlorine and fluorine substituents can influence the compound's lipophilicity, solubility, and overall pharmacokinetic properties. Safety and handling precautions are essential when working with this compound, as isothiocyanates can be irritants and may pose health risks. Overall, 4-Chloro-1-[(2-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole represents a versatile structure with potential applications in various chemical and biological contexts.

Formula: C₁₁H₇ClFN₃S

InChI: InChI=1S/C11H7ClFN3S/c12-9-6-16(15-11(9)14-7-17)5-8-3-1-2-4-10(8)13/h1-4,6H,5H2

InChI key: InChIKey=BALYYXAJEYZNFD-UHFFFAOYSA-N

SMILES: C(N1N=C(N=C=S)C(Cl)=C1)C2=C(F)C=CC=C2

Synonyms:

• 4-Chloro-1-[(2-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
• 1H-Pyrazole, 4-chloro-1-[(2-fluorophenyl)methyl]-3-isothiocyanato-