tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(2,6-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(2,6-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(2,6-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1856 |
| Compound Name: | tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(2,6-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 513.64 |
| Molecular Formula: | C30 H35 N5 O3 |
| Smiles: | Cc1cccc(C)c1n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0915 |
| logD: | 6.0914 |
| logSw: | -5.3672 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.124 |
| InChI Key: | YOPLFNBTRBPACX-UHFFFAOYSA-N |