CAS 1245808-35-8

4-Chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole

Description:

4-Chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole is a chemical compound characterized by its pyrazole ring, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of a chloro group at the 4-position and a methyl group at the 3-position contributes to its unique reactivity and properties. The substituent at the 1-position, a 2-methylpropyl group, enhances its hydrophobic character, influencing its solubility and interaction with biological systems. This compound is typically used in research and development, particularly in the fields of agrochemicals and pharmaceuticals, due to its potential biological activity. Its molecular structure allows for various synthetic modifications, making it a versatile intermediate in organic synthesis. Safety data should be consulted for handling and usage, as halogenated compounds can exhibit varying degrees of toxicity and environmental impact. Overall, 4-Chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole represents a significant compound in the study of nitrogen-containing heterocycles.

Formula: C₈H₁₃ClN₂

InChI: InChI=1S/C8H13ClN2/c1-6(2)4-11-5-8(9)7(3)10-11/h5-6H,4H2,1-3H3

InChI key: InChIKey=TVXDHZRDHFUXNI-UHFFFAOYSA-N

SMILES: C(C(C)C)N1C=C(Cl)C(C)=N1

Synonyms:

• 1H-Pyrazole, 4-chloro-3-methyl-1-(2-methylpropyl)-
• 4-Chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole