5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | C430-0922 |
| Compound Name: | 5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C22 H29 N3 O4 |
| Smiles: | Cc1ccc(c(C)c1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.828 |
| logD: | 1.4735 |
| logSw: | -5.1797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.25 |
| InChI Key: | PRHOTIUIYYZMMQ-UHFFFAOYSA-N |