(4-tert-butylphenyl)[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
(4-tert-butylphenyl)[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | 3852-0411 |
| Compound Name: | (4-tert-butylphenyl)[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 435.4 |
| Molecular Formula: | C21 H20 F3 N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1C(CC(c2ccc(cc2)[N+]([O-])=O)=N1)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1705 |
| logD: | 5.1704 |
| logSw: | -4.9565 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.9 |
| InChI Key: | LEFDTQXONIFQQI-FQEVSTJZSA-N |