1038398-68-3 | 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$155.00	$108.00
1g	95%	in stock	$356.00	$249.00

Description

• Catalog Number: AI06164
• Chemical Name: 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
• CAS Number: 1038398-68-3
• Molecular Formula: C11H7F3N2O2
• Molecular Weight: 256.18068959999994
• MDL Number: MFCD09749428
• SMILES: OC(=O)c1n[nH]c(c1)c1ccc(cc1)C(F)(F)F

Computed Properties

• Complexity: 314
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 2.6

Upstream Synthesis Route

5-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid is a versatile compound that finds wide applications in chemical synthesis. It serves as a valuable building block in the preparation of various organic molecules due to its unique structural features and reactivity. In organic synthesis, this compound can be utilized as a key intermediate for the synthesis of pharmaceuticals, agrochemicals, and materials with specific properties. Its trifluoromethylphenyl group imparts distinct chemical properties, making it a valuable tool for introducing fluorinated motifs in target molecules. The presence of a pyrazole ring further enhances its versatility by enabling it to participate in diverse synthetic transformations, such as nucleophilic substitution, cross-coupling reactions, and cycloadditions. Overall, the strategic incorporation of 5-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid in chemical synthesis opens up a plethora of opportunities for the design and development of novel compounds with desired functionalities.