CAS 400877-64-7

1-[(4-Fluorophenyl)methyl]-3-nitro-1H-pyrazole

Description:

1-[(4-Fluorophenyl)methyl]-3-nitro-1H-pyrazole, with the CAS number 400877-64-7, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a 4-fluorobenzyl group attached to one nitrogen of the pyrazole, contributing to its lipophilicity and potential biological activity. The presence of a nitro group at the 3-position of the pyrazole ring enhances its reactivity and may influence its pharmacological properties. Typically, compounds of this nature are investigated for their potential applications in medicinal chemistry, particularly as pharmaceuticals or agrochemicals. The fluorine atom in the aromatic ring can enhance metabolic stability and alter the compound's interaction with biological targets. Additionally, the compound's solubility, stability, and reactivity can be influenced by its functional groups, making it a subject of interest in various chemical and biological studies. Safety and handling precautions should be observed due to the presence of the nitro group, which can be associated with explosive properties under certain conditions.

Formula: C₁₀H₈FN₃O₂

InChI: InChI=1S/C10H8FN3O2/c11-9-3-1-8(2-4-9)7-13-6-5-10(12-13)14(15)16/h1-6H,7H2

InChI key: InChIKey=PYMBCEHDVUAFOI-UHFFFAOYSA-N

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

Synonyms:

• 1-[(4-Fluorophenyl)methyl]-3-nitro-1H-pyrazole
• 1H-Pyrazole, 1-[(4-fluorophenyl)methyl]-3-nitro-

1-(4-Fluoro-benzyl)-3-nitro-1H-pyrazole

CAS: 400877-64-7

Formula: C₁₀H₈FN₃O₂

Molecular weight: 221.191

Ref: 10-F025773