General Information of the Compound
| Compound ID |
CP0684752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]-1,5-dimethyl-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H11F6N3O2
|
||||||||||||||||||
| Molecular Weight |
367.249
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)nn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H11F6N3O2/c1-6-10(12(25)22-23(6)2)11(24)21-9-4-7(13(15,16)17)3-8(5-9)14(18,19)20/h3-5H,1-2H3,(H,21,24)(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTIFSTOHDUXZPV-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