1001020-14-9 | 3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$35.00	$25.00
250mg	97%	in stock	$37.00	$26.00
1g	97%	in stock	$69.00	$49.00
5g	97%	in stock	$322.00	$226.00
10g	97%	in stock	$644.00	$451.00

Description

• Catalog Number: AA01048
• Chemical Name: 3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
• CAS Number: 1001020-14-9
• Molecular Formula: C5H3F3N2O
• Molecular Weight: 164.0853
• MDL Number: MFCD07375188
• SMILES: O=Cc1c[nH]nc1C(F)(F)F

Computed Properties

• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.6

Upstream Synthesis Route

3-(Trifluoromethyl)-1H-pyrazole-4-carboxaldehyde is a versatile compound widely utilized in chemical synthesis for its unique properties and diverse applications. In organic chemistry, it serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and functional materials. Due to the presence of the trifluoromethyl group, this compound imparts desirable characteristics such as increased lipophilicity, enhanced metabolic stability, and improved binding affinity in drug discovery and development. Additionally, the pyrazole ring structure offers the potential for further functionalization, allowing for the generation of structurally diverse compounds with tailored properties. In the field of medicinal chemistry, 3-(Trifluoromethyl)-1H-pyrazole-4-carboxaldehyde has shown promise in the development of novel bioactive molecules with improved biological activity and pharmacokinetic profiles. Its application extends to the synthesis of research tools, fluorescent probes, and complex intermediates, highlighting its importance as a valuable reagent in modern chemical synthesis strategies.