[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
Chemical Structure Depiction of
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | Y501-7907 |
| Compound Name: | [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone |
| Molecular Weight: | 397.31 |
| Molecular Formula: | C16 H14 F3 N5 O4 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(c2ccc(Cn3ccc(n3)[N+]([O-])=O)cc2)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4969 |
| logD: | 1.4969 |
| logSw: | -1.9703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.197 |
| InChI Key: | WVOQCXCZFRRWRS-HNNXBMFYSA-N |