CAS 1260659-16-2

1-(Difluoromethyl)-1H-pyrazole-3-acetonitrile

Description:

1-(Difluoromethyl)-1H-pyrazole-3-acetonitrile is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a difluoromethyl group and an acetonitrile moiety. This compound typically exhibits properties associated with both heterocyclic compounds and nitriles, such as moderate polarity and potential reactivity due to the presence of the cyano group. The difluoromethyl group can influence the compound's electronic properties, potentially enhancing its lipophilicity and affecting its interactions in biological systems. As a pyrazole derivative, it may also exhibit interesting pharmacological activities, making it of interest in medicinal chemistry. The presence of fluorine atoms often contributes to the stability and bioavailability of the compound. Additionally, the compound's synthesis and reactivity can be influenced by the specific functional groups present, making it a candidate for various applications in organic synthesis and drug development. Safety and handling precautions should be observed due to the potential toxicity associated with fluorinated compounds and nitriles.

Formula: C₆H₅F₂N₃

InChI: InChI=1S/C6H5F2N3/c7-6(8)11-4-2-5(10-11)1-3-9/h2,4,6H,1H2

InChI key: InChIKey=BNUSFGITOMQQCO-UHFFFAOYSA-N

SMILES: C(F)(F)N1N=C(CC#N)C=C1

Synonyms:

• 1-(Difluoromethyl)-1H-pyrazole-3-acetonitrile
• 1H-Pyrazole-3-acetonitrile, 1-(difluoromethyl)-