1002535-21-8 | 3-(1H-Pyrazol-4-yl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$68.00	$47.00
1g	95%	in stock	$88.00	$61.00
5g	95%	in stock	$303.00	$212.00

Description

• Catalog Number: AA01598
• Chemical Name: 3-(1H-Pyrazol-4-yl)benzoic acid
• CAS Number: 1002535-21-8
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.1827
• MDL Number: MFCD06739075
• SMILES: OC(=O)c1cccc(c1)c1c[nH]nc1

Computed Properties

• Complexity: 220
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.4

Upstream Synthesis Route

The 3-(1H-Pyrazol-4-yl)benzoic acid is a versatile compound commonly used in chemical synthesis for its unique properties and reactivity. In organic synthesis, it serves as a key building block for the preparation of various pharmaceuticals, agrochemicals, and functional materials. Furthermore, this compound is utilized as a precursor in the synthesis of complex molecules due to its ability to undergo various chemical transformations, such as nucleophilic substitution, aromatic substitution, and condensation reactions. Its structural features make it an important intermediate in the production of diverse compounds with biological and industrial significance. Moreover, the presence of the pyrazole ring in its structure imparts specific properties and functionalities, making it a valuable tool in medicinal chemistry for designing novel drug candidates. Its incorporation into molecular frameworks can lead to compounds with improved pharmacological profiles and targeted biological activities. Overall, the 3-(1H-Pyrazol-4-yl)benzoic acid plays a crucial role in synthetic chemistry by enabling the efficient construction of complex molecules and facilitating the development of innovative materials and pharmaceuticals.