CAS 1003988-83-7

Methyl 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate

Description:

Methyl 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a methyl ester functional group, contributing to its solubility in organic solvents. The presence of a 2-nitrophenoxy group indicates that it has a nitro substituent on a phenyl ring, which can influence its reactivity and polarity. The nitro group is known for its electron-withdrawing properties, which can affect the compound's overall electronic characteristics and potential biological activity. Methyl 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its molecular structure suggests potential applications in agrochemicals or pharmaceuticals, particularly in the development of compounds with specific biological activities. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity associated with nitro-containing compounds.

Formula: C₁₂H₁₁N₃O₅

InChI: InChI=1S/C12H11N3O5/c1-19-12(16)9-6-7-14(13-9)8-20-11-5-3-2-4-10(11)15(17)18/h2-7H,8H2,1H3

InChI key: InChIKey=AKFRSTHVUBVTSU-UHFFFAOYSA-N

SMILES: O(CN1N=C(C(OC)=O)C=C1)C2=C(N(=O)=O)C=CC=C2

Synonyms:

• Methyl 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 1-[(2-nitrophenoxy)methyl]-, methyl ester