CAS 1255717-91-9

1H-Pyrazole, 1-[2-(chloromethyl)phenyl]-3,5-dimethyl-, hydrochloride (1:1)

Description:

1H-Pyrazole, 1-[2-(chloromethyl)phenyl]-3,5-dimethyl-, hydrochloride (1:1) is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a chloromethyl group attached to a phenyl ring enhances its reactivity and potential applications in medicinal chemistry. The compound is typically encountered as a hydrochloride salt, which improves its solubility in water and facilitates handling in laboratory settings. Its structure suggests potential biological activity, making it of interest in pharmaceutical research. The dimethyl substitutions at the 3 and 5 positions of the pyrazole ring may influence its electronic properties and steric hindrance, affecting its interaction with biological targets. As with many pyrazole derivatives, it may exhibit a range of activities, including anti-inflammatory or analgesic effects, although specific biological data would be necessary to confirm these properties. Safety data and handling precautions should be observed due to the presence of the chloromethyl group, which can be reactive and potentially hazardous.

Formula: C₁₂H₁₃ClN₂·ClH

InChI: InChI=1S/C12H13ClN2.ClH/c1-9-7-10(2)15(14-9)12-6-4-3-5-11(12)8-13;/h3-7H,8H2,1-2H3;1H

InChI key: InChIKey=FXWBTRWCCAKNKE-UHFFFAOYSA-N

SMILES: C(Cl)C1=C(C=CC=C1)N2N=C(C)C=C2C.Cl

Synonyms:

• 1H-Pyrazole, 1-[2-(chloromethyl)phenyl]-3,5-dimethyl-, hydrochloride (1:1)