CAS 512809-17-5

1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole

Description:

1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole, with the CAS number 512809-17-5, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a nitro group (-NO2) at the 3-position of the pyrazole ring, contributing to its potential reactivity and biological activity. The presence of a 2-methylphenyl group at the 1-position enhances its lipophilicity, which may influence its solubility and interaction with biological systems. The molecular structure suggests that it may exhibit interesting pharmacological properties, making it a candidate for research in medicinal chemistry. Additionally, the compound's stability, melting point, and solubility characteristics would depend on its specific molecular interactions and the environment in which it is studied. As with many organic compounds, safety and handling precautions should be observed due to the presence of the nitro group, which can be sensitive under certain conditions.

Formula: C₁₁H₁₁N₃O₂

InChI: InChI=1S/C11H11N3O2/c1-9-4-2-3-5-10(9)8-13-7-6-11(12-13)14(15)16/h2-7H,8H2,1H3

InChI key: InChIKey=XHWQUSGCOLRREK-UHFFFAOYSA-N

SMILES: C(N1N=C(N(=O)=O)C=C1)C2=C(C)C=CC=C2

Synonyms:

• 1-[(2-Methylphenyl)methyl]-3-nitropyrazole
• 1-(2-Methylbenzyl)-3-nitro-1H-pyrazole
• 1-[(2-Methylphenyl)methyl]-3-nitro-1H-pyrazole
• 1H-Pyrazole, 1-[(2-methylphenyl)methyl]-3-nitro-

1-(2-methylbenzyl)-3-nitro-1H-pyrazole

CAS: 512809-17-5

Formula: C₁₁H₁₁N₃O₂

Molecular weight: 217.228

Ref: 10-F425378