CAS 1001500-57-7

3-Isothiocyanato-1,5-dimethyl-1H-pyrazole

Description:

3-Isothiocyanato-1,5-dimethyl-1H-pyrazole is an organic compound characterized by the presence of both a pyrazole ring and an isothiocyanate functional group. The pyrazole moiety contributes to its heterocyclic nature, which can influence its reactivity and biological activity. This compound typically exhibits a moderate to high level of solubility in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the pyrazole ring. The isothiocyanate group is known for its reactivity, particularly in nucleophilic substitution reactions, and can participate in various chemical transformations. Additionally, compounds containing isothiocyanate groups are often studied for their potential biological activities, including antimicrobial and anticancer properties. The presence of the dimethyl substituents on the pyrazole ring can affect the steric and electronic properties of the molecule, potentially influencing its interactions with biological targets. Overall, 3-Isothiocyanato-1,5-dimethyl-1H-pyrazole is a compound of interest in both synthetic chemistry and pharmacology.

Formula: C₆H₇N₃S

InChI: InChI=1S/C6H7N3S/c1-5-3-6(7-4-10)8-9(5)2/h3H,1-2H3

InChI key: InChIKey=DJYHJWKHROPPBE-UHFFFAOYSA-N

SMILES: N(=C=S)C=1C=C(C)N(C)N1

Synonyms:

• 3-Isothiocyanato-1,5-dimethylpyrazole
• 3-Isothiocyanato-1,5-dimethyl-1H-pyrazole
• 1H-Pyrazole, 3-isothiocyanato-1,5-dimethyl-