CAS 1229624-96-7

1-(Difluoromethyl)-1H-pyrazole-5-carbonitrile

Description:

1-(Difluoromethyl)-1H-pyrazole-5-carbonitrile is a chemical compound characterized by its unique structural features, which include a pyrazole ring and a difluoromethyl group. The presence of the carbonitrile functional group contributes to its reactivity and potential applications in various chemical reactions. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its difluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry and agrochemical research. The compound's molecular structure suggests potential for hydrogen bonding and dipole interactions, which can affect its physical properties, such as melting point and boiling point. Additionally, the presence of fluorine atoms often imparts unique electronic properties, which can be advantageous in the development of pharmaceuticals or agrochemicals. Overall, 1-(Difluoromethyl)-1H-pyrazole-5-carbonitrile is a compound of interest due to its distinctive chemical characteristics and potential applications in various fields.

Formula: C₅H₃F₂N₃

InChI: InChI=1S/C5H3F2N3/c6-5(7)10-4(3-8)1-2-9-10/h1-2,5H

InChI key: InChIKey=ODFCCUHCWNRWEL-UHFFFAOYSA-N

SMILES: C(#N)C=1N(C(F)F)N=CC1

Synonyms:

• 1-(Difluoromethyl)-1H-pyrazole-5-carbonitrile
• 1H-Pyrazole-5-carbonitrile, 1-(difluoromethyl)-