CAS 1159993-17-5

4-Chloro-3,5-bis(3,4-dimethylphenyl)-1H-pyrazole

Description:

4-Chloro-3,5-bis(3,4-dimethylphenyl)-1H-pyrazole is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of the chloro substituent and two bulky 3,4-dimethylphenyl groups significantly influences its chemical properties, including its solubility and reactivity. This compound typically exhibits moderate to high lipophilicity due to the hydrophobic nature of the dimethylphenyl groups. It may display biological activity, making it of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal compounds. The compound's structure suggests potential for various interactions, including hydrogen bonding and π-π stacking, which could affect its behavior in biological systems. Additionally, its synthesis may involve standard organic reactions such as halogenation and coupling reactions. As with many pyrazole derivatives, it may also exhibit interesting thermal and photochemical stability, making it suitable for various applications in materials science and organic synthesis.

Formula: C₁₉H₁₉ClN₂

InChI: InChI=1S/C19H19ClN2/c1-11-5-7-15(9-13(11)3)18-17(20)19(22-21-18)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3,(H,21,22)

InChI key: InChIKey=SUPLDALWGNRRHV-UHFFFAOYSA-N

SMILES: ClC=1C(=NNC1C2=CC(C)=C(C)C=C2)C3=CC(C)=C(C)C=C3

Synonyms:

• 1H-Pyrazole, 4-chloro-3,5-bis(3,4-dimethylphenyl)-
• 4-Chloro-3,5-bis(3,4-dimethylphenyl)-1H-pyrazole