(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
Chemical Structure Depiction of
(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 8008-2950 |
| Compound Name: | (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone |
| Molecular Weight: | 263.25 |
| Molecular Formula: | C12 H13 N3 O4 |
| Smiles: | CC1CC(C)(N(C(c2ccc(cc2)[N+]([O-])=O)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5489 |
| logD: | 1.5489 |
| logSw: | -1.9651 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.261 |
| InChI Key: | TZYDUQBFBRCHEN-LBPRGKRZSA-N |