CAS 1354704-46-3

3-Bromo-5-methyl-1-(1-methylethyl)-1H-pyrazole

Description:

3-Bromo-5-methyl-1-(1-methylethyl)-1H-pyrazole is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of a bromine atom at the 3-position and a branched alkyl group (isopropyl) at the 1-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. Its molecular structure suggests potential reactivity, particularly in nucleophilic substitution reactions due to the presence of the bromine atom. The methyl group at the 5-position can influence the compound's steric and electronic properties, affecting its reactivity and interactions with other molecules. Additionally, compounds of this type may have applications in pharmaceuticals or agrochemicals, given the importance of pyrazole derivatives in medicinal chemistry. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₇H₁₁BrN₂

InChI: InChI=1S/C7H11BrN2/c1-5(2)10-6(3)4-7(8)9-10/h4-5H,1-3H3

InChI key: InChIKey=ABBVFXPIASJIAN-UHFFFAOYSA-N

SMILES: C(C)(C)N1N=C(Br)C=C1C

Synonyms:

• 1H-Pyrazole, 3-bromo-5-methyl-1-(1-methylethyl)-
• 3-Bromo-5-methyl-1-(1-methylethyl)-1H-pyrazole