1004643-64-4 | 1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$69.00	$49.00
1g	95%	in stock	$169.00	$118.00
10g	95%	in stock	$1,428.00	$999.00

Description

• Catalog Number: AA02462
• Chemical Name: 1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
• CAS Number: 1004643-64-4
• Molecular Formula: C6H6F2N2O2
• Molecular Weight: 176.1208
• MDL Number: MFCD04970128
• SMILES: OC(=O)c1nn(c(c1)C)C(F)F

Computed Properties

• Complexity: 188
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.3

Upstream Synthesis Route

1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid is a versatile building block in chemical synthesis due to its unique structural properties. This compound is commonly utilized as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and functional materials. Its difluoromethyl and pyrazole moieties impart valuable characteristics such as enhanced biological activity, metabolic stability, and bioavailability in the final products. Through precise manipulation of its chemical reactivity, 1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid enables the synthesis of complex molecules with desired pharmacological or chemical properties, making it an indispensable tool in modern organic synthesis strategies.