1133-77-3 | 1-Phenyl-1H-pyrazole-5-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$39.00	$27.00
250mg	98%	in stock	$48.00	$33.00
1g	98%	in stock	$58.00	$40.00
5g	98%	in stock	$242.00	$169.00
10g	98%	in stock	$472.00	$330.00
25g	98%	in stock	$943.00	$660.00

Description

• Catalog Number: AD75430
• Chemical Name: 1-Phenyl-1H-pyrazole-5-carboxylic acid
• CAS Number: 1133-77-3
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.18272
• MDL Number: MFCD00463580
• SMILES: OC(=O)c1ccnn1c1ccccc1
• NSC Number: 40268

Computed Properties

• Complexity: 214
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.8

Upstream Synthesis Route

1H-Pyrazole-5-carboxylic acid, 1-phenyl- is a versatile compound widely used in chemical synthesis for its unique properties and diverse applications. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its functional groups allow for facile modification through organic synthesis, making it a valuable intermediate in the production of complex organic molecules. Additionally, 1H-Pyrazole-5-carboxylic acid, 1-phenyl- is utilized in the development of new materials and is a valuable tool in the study of structure-activity relationships in drug design. Its significance in the field of chemical synthesis is underscored by its ability to contribute to the advancement of various scientific disciplines and industries.