CAS 1245772-41-1

4-Chloro-3-methyl-1-(1-methylpropyl)-1H-pyrazole-5-carboxaldehyde

Description:

4-Chloro-3-methyl-1-(1-methylpropyl)-1H-pyrazole-5-carboxaldehyde is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound 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 physical properties. The aldehyde functional group at the 5-position is significant for its potential in various chemical reactions, including condensation and oxidation. This compound is likely to be a solid at room temperature, with moderate solubility in organic solvents due to its polar aldehyde group. Its structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. The presence of the isopropyl group enhances its hydrophobic character, which may influence its biological activity and interaction with other molecules. As with many pyrazole derivatives, it may exhibit interesting biological properties, making it a subject of interest in medicinal chemistry.

Formula: C₉H₁₃ClN₂O

InChI: InChI=1S/C9H13ClN2O/c1-4-6(2)12-8(5-13)9(10)7(3)11-12/h5-6H,4H2,1-3H3

InChI key: InChIKey=ZSUUNQRJSIKNRW-UHFFFAOYSA-N

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

Synonyms:

• 4-Chloro-3-methyl-1-(1-methylpropyl)-1H-pyrazole-5-carboxaldehyde
• 1H-Pyrazole-5-carboxaldehyde, 4-chloro-3-methyl-1-(1-methylpropyl)-