5-Methyl-3-p-isopropylphenylpyrazole

CAS: 1035092-07-9

Ref. 3D-FM25683

Product Information

• Name: 5-Methyl-3-p-isopropylphenylpyrazole
• Synonyms: 5-Methyl-3-[4-(1-methylethyl)phenyl]-1H-pyrazole3-Cumenyl-5-methylpyrazole

Description

5-Methyl-3-p-isopropylphenylpyrazole is an organic compound that is used as a synthon in the synthesis of pyrazoles. It has been shown to bind to anions and hydrogen bonds, which may be due to its structure. 5-Methyl-3-p-isopropylphenylpyrazole has also been shown to interact with other molecules through cavity interactions, which are due to the placement of substituents on the pyrazole ring. This interaction can be analyzed by correlating the interaction energies with conformational changes in the framework.

• Brand: Biosynth

Chemical properties

• Molecular weight: 200.28 g/mol
• Formula: C₁₃H₁₆N₂
• Purity: Min. 95%
• InChI: InChI=1S/C13H16N2/c1-9(2)11-4-6-12(7-5-11)13-8-10(3)14-15-13/h4-9H,1-3H3,(H,14,15)
• InChI key: InChIKey=XPSNOXNONNFMKA-UHFFFAOYSA-N
• SMILES: Cc1cc(-c2ccc(C(C)C)cc2)n[nH]1