VRT-532

Ligand id: 4341

Name: VRT-532

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 48.91
Molecular weight 250.11
XLogP 5.52
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol
Synonyms
VRT 532 | VRT532
Database Links
CAS Registry No. 38214-71-0 (source: SciFinder)
ChEMBL Ligand CHEMBL1941089
PubChem CID 6742696
Search Google for chemical match using the InChIKey AQWKVJFRGORALM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AQWKVJFRGORALM
Search UniChem for chemical match using the InChIKey AQWKVJFRGORALM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AQWKVJFRGORALM
Comments
The structure of this compound is drawn from the article which describes its discovery [2]. This compound is represented in PubChem by the alternative tautomer CID 5405906.