CAS 865659-81-0

1-Methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid 2-[[(4-butylphenyl)amino]thioxomethyl]hydrazide

Description:

1-Methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid 2-[[(4-butylphenyl)amino]thioxomethyl]hydrazide is a complex organic compound characterized by its unique structural features, including a thieno[2,3-c]pyrazole core and a hydrazide functional group. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. This compound is likely to exhibit significant polar characteristics due to the carboxylic acid and hydrazide functionalities, which can engage in hydrogen bonding. Its molecular structure suggests potential applications in pharmaceuticals, particularly in the development of agrochemicals or medicinal compounds, owing to the thieno and pyrazole moieties known for their diverse biological activities. The butylphenyl group may contribute to its hydrophobic properties, potentially affecting its solubility and permeability. Overall, this compound's intricate structure and functional groups suggest it may possess interesting chemical reactivity and biological properties, warranting further investigation in relevant fields such as medicinal chemistry and material science.

Formula: C₁₉H₂₀F₃N₅OS₂

InChI: InChI=1S/C19H20F3N5OS2/c1-3-4-5-11-6-8-12(9-7-11)23-18(29)25-24-16(28)14-10-13-15(19(20,21)22)26-27(2)17(13)30-14/h6-10H,3-5H2,1-2H3,(H,24,28)(H2,23,25,29)

InChI key: InChIKey=FEHXDQJZHSGUCD-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C2=C(SC(C(NNC(NC3=CC=C(CCCC)C=C3)=S)=O)=C2)N(C)N1

Synonyms:

• 1H-Thieno[2,3-c]pyrazole-5-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, 2-[[(4-butylphenyl)amino]thioxomethyl]hydrazide
• 1-Methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid 2-[[(4-butylphenyl)amino]thioxomethyl]hydrazide