pyrazolone, 1

Ligand id: 5831

Name: pyrazolone, 1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 64.68
Molecular weight 384.14
XLogP 5.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(4-chlorophenyl)-1-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
Synonyms
compound 43 [PMID:16697190] [1] | compound 43 [PMID:23160941] [2]
Database Links
ChEMBL Ligand CHEMBL379761
PubChem CID 24776341
Search Google for chemical match using the InChIKey PAEBEUZTAPIOIO-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey PAEBEUZTAPIOIO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PAEBEUZTAPIOIO