950858-65-8 | 1-tert-Butyl-1h-pyrazole-4-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$11.00	$8.00
250mg	98%	in stock	$18.00	$13.00
1g	98%	in stock	$59.00	$42.00
5g	98%	in stock	$189.00	$133.00
10g	98%	in stock	$291.00	$204.00

Description

• Catalog Number: AD13213
• Chemical Name: 1-tert-Butyl-1h-pyrazole-4-carboxylic acid
• CAS Number: 950858-65-8
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19308
• MDL Number: MFCD09934934
• SMILES: OC(=O)c1cnn(c1)C(C)(C)C

Computed Properties

• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.7

Upstream Synthesis Route

1-tert-Butyl-1H-pyrazole-4-carboxylic acid is a versatile compound commonly employed in chemical synthesis as a key building block. With its unique structure, this acid can participate in a wide range of reactions to facilitate the creation of various complex molecules. Its application in organic synthesis is particularly notable in the pharmaceutical industry, where the acid's reactivity and stability make it an essential component in the development of new drug candidates. Additionally, this compound is utilized in the preparation of novel materials, such as polymers and specialty chemicals, showcasing its significance in advancing the field of chemistry.