5-butyl-1H-pyrazole-3-carboxylic acid

Ligand id: 1591

Name: 5-butyl-1H-pyrazole-3-carboxylic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 65.98
Molecular weight 168.09
XLogP 2.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. van Herk T, Brussee J, van den Nieuwendijk AM, van der Klein PA, Ijzerman AP, Stannek C, Burmeister A, Lorenzen A. (2003)
Pyrazole derivatives as partial agonists for the nicotinic acid receptor.
J Med Chem46: 3945-3951. [PMID:12930155]