100957-85-5 | 1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	96%	in stock	$70.00	$49.00
1g	96%	in stock	$82.00	$58.00
5g	96%	in stock	$275.00	$193.00
10g	96%	in stock	$426.00	$298.00
25g	96%	in stock	$923.00	$646.00

Description

• Catalog Number: AA04075
• Chemical Name: 1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid
• CAS Number: 100957-85-5
• Molecular Formula: C15H18N2O2
• Molecular Weight: 258.3156
• MDL Number: MFCD02090479
• SMILES: OC(=O)c1cc(nn1Cc1ccccc1)C(C)(C)C

Computed Properties

• Complexity: 319
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 3.4

Upstream Synthesis Route

1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid, often referred to as $name$, plays a crucial role in chemical synthesis as a versatile building block with various applications. This compound exhibits unique reactivity and structural features that make it valuable in the creation of complex molecules. In chemical synthesis, $name$ can serve as a key intermediate for the synthesis of pharmaceutical compounds, agrochemicals, and materials with specialized properties. Its functional groups enable selective modifications, allowing chemists to tailor its structure for diverse reactions and target molecules. By incorporating $name$ into synthetic pathways, researchers can efficiently access a wide range of important compounds and molecular scaffolds, making it an indispensable tool in modern organic chemistry.