CAS 1001500-60-2

4-Cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

4-Cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, identified by its CAS number 1001500-60-2, is a synthetic organic compound characterized by its complex molecular structure, which includes a triazole ring and a pyrazole moiety. This compound features a cyclopropyl group, contributing to its unique steric and electronic properties. The presence of a difluoromethyl group enhances its lipophilicity and may influence its biological activity. As a thione, it contains a sulfur atom double-bonded to a carbon atom, which can impart distinct reactivity patterns compared to its corresponding oxo derivatives. The compound's potential applications may lie in medicinal chemistry, particularly in the development of pharmaceuticals, due to its diverse functional groups that can interact with biological targets. Its solubility, stability, and reactivity would depend on the specific conditions and solvents used, making it a subject of interest for further research in drug design and synthesis.

Formula: C₁₁H₁₃F₂N₅S

InChI: InChI=1S/C11H13F2N5S/c1-6-4-8(10(12)13)16-17(6)5-9-14-15-11(19)18(9)7-2-3-7/h4,7,10H,2-3,5H2,1H3,(H,15,19)

InChI key: InChIKey=XKHBRGUAGSEAQX-UHFFFAOYSA-N

SMILES: C(C=1N(C(=S)NN1)C2CC2)N3N=C(C(F)F)C=C3C

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 4-cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl]-2,4-dihydro-
• 4-Cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione