Pyr3

Ligand id: 4293

Name: Pyr3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 73.22
Molecular weight 454.98
XLogP 5.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 1-[4-(trichloroprop-2-enamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Database Links
CAS Registry No. 1160514-60-2 (source: Scifinder)
PubChem CID 56964346
Search Google for chemical match using the InChIKey RZHGONNSASQOAY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RZHGONNSASQOAY
Search UniChem for chemical match using the InChIKey RZHGONNSASQOAY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RZHGONNSASQOAY