{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | Y503-1384 |
| Compound Name: | {2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 411.34 |
| Molecular Formula: | C17 H16 F3 N5 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(N2C(CC=N2)(C(F)(F)F)O)=O)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.637 |
| logD: | 1.637 |
| logSw: | -2.5922 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.405 |
| InChI Key: | TZNRFJBDEPPAOG-INIZCTEOSA-N |