CAS 1001519-05-6

1-[(4-Chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole

Description:

1-[(4-Chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole, with CAS number 1001519-05-6, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a 4-chlorophenoxy group, contributing to its potential biological activity and solubility properties. The presence of two methyl groups at the 3 and 5 positions of the pyrazole ring enhances its lipophilicity, while the nitro group at the 4 position introduces electron-withdrawing characteristics, which can influence its reactivity and interaction with biological targets. The compound is typically synthesized through specific organic reactions involving the appropriate precursors. Its structural features suggest potential applications in agrochemicals or pharmaceuticals, particularly in the development of herbicides or other bioactive agents. However, detailed studies on its toxicity, environmental impact, and specific applications would be necessary to fully understand its characteristics and potential uses.

Formula: C₁₂H₁₂ClN₃O₃

InChI: InChI=1S/C12H12ClN3O3/c1-8-12(16(17)18)9(2)15(14-8)7-19-11-5-3-10(13)4-6-11/h3-6H,7H2,1-2H3

InChI key: InChIKey=NCOMEIDQUQYWBQ-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C)N(COC2=CC=C(Cl)C=C2)N=C1C

Synonyms:

• 1-[(4-Chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
• 1H-Pyrazole, 1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-