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

GtoPdb Ligand ID: 1591

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 65.98
Molecular weight 168.09
XLogP 2.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCc1cc(n[nH]1)C(=O)O
Isomeric SMILES CCCCc1cc(n[nH]1)C(=O)O
InChI InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChI Key ZJTXSGLJNBAMJS-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
HCA2 receptor Rn Agonist Partial agonist 7.1 pKi - 1
pKi 7.1 [1]