tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C430-0923 |
| Compound Name: | tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 447.96 |
| Molecular Formula: | C23 H30 Cl N3 O4 |
| Smiles: | CCOC(c1cnn(c2cccc(c2C)[Cl])c1C1CCN(CC1)C(=O)OC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5133 |
| logD: | 6.5133 |
| logSw: | -6.1093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.596 |
| InChI Key: | ITGDUGWXJTZULT-UHFFFAOYSA-N |