tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C908-0562 |
| Compound Name: | tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C22 H28 N4 O6 |
| Smiles: | CCOC(c1cnn(c2ccc(cc2)[N+]([O-])=O)c1C1CCN(CC1)C(=O)OC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4068 |
| logD: | 5.4067 |
| logSw: | -5.2603 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.278 |
| InChI Key: | HHZSUULMJHRGRO-UHFFFAOYSA-N |