CAS 1245808-38-1

1H-Pyrazole, 1-(2,2-difluoroethyl)-3-methyl-4-nitro-

Description:

1H-Pyrazole, 1-(2,2-difluoroethyl)-3-methyl-4-nitro- is a chemical compound characterized by its pyrazole ring structure, which consists of a five-membered ring containing two adjacent nitrogen atoms. This compound features a difluoroethyl group, contributing to its unique properties, and a nitro group, which is known for its electron-withdrawing effects. The presence of the methyl group enhances its hydrophobic characteristics. The molecular structure suggests potential applications in pharmaceuticals or agrochemicals, as modifications to the pyrazole ring can influence biological activity. The compound's physical properties, such as solubility and melting point, can vary based on its substituents and overall molecular interactions. Additionally, the presence of fluorine atoms often enhances metabolic stability and lipophilicity, making such compounds of interest in medicinal chemistry. Safety and handling precautions should be observed, as nitro compounds can be sensitive and potentially hazardous. Overall, this compound exemplifies the diverse chemistry of pyrazoles and their derivatives.

Formula: C₆H₇F₂N₃O₂

InChI: InChI=1S/C6H7F2N3O2/c1-4-5(11(12)13)2-10(9-4)3-6(7)8/h2,6H,3H2,1H3

InChI key: InChIKey=GJZJOWIMJNCWCG-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CN(CC(F)F)N=C1C

Synonyms:

• 1H-Pyrazole, 1-(2,2-difluoroethyl)-3-methyl-4-nitro-
• 1-(2,2-Difluoro-ethyl)-3-methyl-4-nitro-1H-pyrazole
• 1-(2,2-Difluoroethyl)-3-methyl-4-nitropyrazole