CAS 1235439-07-2

3-(4-Fluorophenyl)-1-methyl-1H-pyrazole-5-thiol

Description:

3-(4-Fluorophenyl)-1-methyl-1H-pyrazole-5-thiol is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a thiol (-SH) group at the 5-position contributes to its reactivity and potential applications in various chemical reactions, particularly in the formation of disulfides or as a nucleophile. The 4-fluorophenyl substituent enhances the compound's electronic properties, potentially influencing its biological activity and solubility. This compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Its molecular structure suggests that it could participate in hydrogen bonding due to the thiol group, which may affect its interactions with biological targets. Additionally, the fluorine atom can impact the lipophilicity and metabolic stability of the compound. Overall, 3-(4-Fluorophenyl)-1-methyl-1H-pyrazole-5-thiol presents a unique combination of functional groups that may be explored for various applications in drug development and organic synthesis.

Formula: C₁₀H₉FN₂S

InChI: InChI=1S/C10H9FN2S/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-6,14H,1H3

InChI key: InChIKey=ZHKLSCZKTPKMLR-UHFFFAOYSA-N

SMILES: SC1=CC(=NN1C)C2=CC=C(F)C=C2

Synonyms:

• 3-(4-Fluorophenyl)-1-methyl-1H-pyrazole-5-thiol
• 1H-Pyrazole-5-thiol, 3-(4-fluorophenyl)-1-methyl-