119083-00-0 | 1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
200mg	97%	in stock	$42.00	$30.00
500mg	97%	in stock	$88.00	$62.00
1g	97%	in stock	$114.00	$80.00
2.5g	97%	in stock	$233.00	$164.00
5g	97%	in stock	$430.00	$301.00
25g	97%	in stock	$1,691.00	$1,184.00

Description

• Catalog Number: AA23322
• Chemical Name: 1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
• CAS Number: 119083-00-0
• Molecular Formula: C6H5F3N2O2
• Molecular Weight: 194.1113
• MDL Number: MFCD04110182
• SMILES: OC(=O)c1cnn(c1C(F)(F)F)C

Computed Properties

• Complexity: 218
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.7

Upstream Synthesis Route

1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a versatile compound widely utilized in chemical synthesis as a key building block in the creation of various pharmaceuticals, agrochemicals, and materials. With its unique structure and functional groups, this compound plays a crucial role in the development of novel molecules with desired properties.In chemical synthesis, 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid serves as a valuable intermediate for the construction of heterocyclic compounds and complex organic structures. Its trifluoromethyl group confers enhanced lipophilicity and bioavailability to the final products, making it particularly useful in medicinal chemistry for drug discovery.Furthermore, this compound can participate in diverse transformations such as cross-coupling reactions, nucleophilic additions, and cyclization reactions to introduce various substituents and functional groups onto the pyrazole core, allowing for the fine-tuning of chemical properties and biological activities in the target molecules.Overall, 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a pivotal molecule in chemical synthesis, offering a wide range of opportunities for the creation of innovative compounds with applications across different scientific fields.

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101