1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8008-3503 |
| Compound Name: | 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 331.25 |
| Molecular Formula: | C13 H12 F3 N3 O4 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(Cc2ccc(cc2)[N+]([O-])=O)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0485 |
| logD: | 2.0485 |
| logSw: | -2.1951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.817 |
| InChI Key: | RNFUYCGRUNGHDC-LBPRGKRZSA-N |