methyl-piperidino-pyrazole

Ligand Id: 3459
Ligand name methyl-piperidino-pyrazole

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 65.04
Molecular weight 469.24
XLogP 4.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrazol-3-ylidene]cyclohexa-2,5-dien-1-one
Synonyms
MPP
Database Links
ChEBI CHEBI:573309
ChEMBL Ligand CHEMBL520107
PubChem CID 6604927
Search Google for chemical match using the InChIKey PFTIONINVMINHE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PFTIONINVMINHE
ZINC ZINC03996033
Comments
Note that both the ChEMBL and ZINC represent this molecule as a hydroxyl tautomer of our representation.