tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0436 |
| Compound Name: | tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C29 H33 N5 O3 |
| Smiles: | Cc1cccc(c1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8752 |
| logD: | 5.8751 |
| logSw: | -5.2701 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.726 |
| InChI Key: | LGXMIQAIATUNFH-UHFFFAOYSA-N |