General Information of the Compound
| Compound ID |
CP0670568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H9F6N3O2
|
||||||||||||||||||
| Molecular Weight |
353.222
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H9F6N3O2/c1-22-5-9(11(24)21-22)10(23)20-8-3-6(12(14,15)16)2-7(4-8)13(17,18)19/h2-5H,1H3,(H,20,23)(H,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
POEQUYMALBCRLE-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound