[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone
Chemical Structure Depiction of
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 3852-0068 |
| Compound Name: | [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone |
| Molecular Weight: | 317.22 |
| Molecular Formula: | C12 H10 F3 N3 O4 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(c2ccc(cc2)[N+]([O-])=O)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0342 |
| logD: | 2.0342 |
| logSw: | -2.334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.344 |
| InChI Key: | PHXIYXXOGCLJBZ-NSHDSACASA-N |