tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1714 |
| Compound Name: | tert-butyl 4-[4-{[4-(cyanomethyl)phenyl]carbamoyl}-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C28 H30 F N5 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)F)C(Nc1ccc(CC#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4108 |
| logD: | 5.4108 |
| logSw: | -5.2509 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.726 |
| InChI Key: | VPQXVVUDOWNRSH-UHFFFAOYSA-N |