CAS 1423029-57-5

4-(Difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid

Description:

4-(Difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a difluoromethyl group contributes to its unique reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The 2-methylpropyl substituent enhances its lipophilicity, which can influence its bioavailability and interaction with biological targets. As a carboxylic acid, it possesses acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. The compound's structure suggests potential for diverse applications, including agrochemicals and drug design, due to the presence of both fluorine atoms and functional groups that can engage in hydrogen bonding. Its specific properties, such as solubility, stability, and reactivity, would depend on the surrounding conditions, including pH and solvent. Overall, this compound exemplifies the complexity and versatility of modern synthetic organic chemistry.

Formula: C₉H₁₂F₂N₂O₂

InChI: InChI=1S/C9H12F2N2O2/c1-5(2)3-13-4-6(8(10)11)7(12-13)9(14)15/h4-5,8H,3H2,1-2H3,(H,14,15)

InChI key: InChIKey=QGCMTOXSXOEFLD-UHFFFAOYSA-N

SMILES: C(F)(F)C=1C(C(O)=O)=NN(CC(C)C)C1

Synonyms:

• 4-(Difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 4-(difluoromethyl)-1-(2-methylpropyl)-