5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | C908-0565 |
| Compound Name: | 5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C20 H24 N4 O6 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6537 |
| logD: | 0.2992 |
| logSw: | -4.2221 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.933 |
| InChI Key: | GFSQQWLRSYILQC-UHFFFAOYSA-N |