5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(3-chloro-2-methylphenyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(3-chloro-2-methylphenyl)-1H-pyrazole-4-carboxylic acid
5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(3-chloro-2-methylphenyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | C430-0924 |
| Compound Name: | 5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1-(3-chloro-2-methylphenyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 419.91 |
| Molecular Formula: | C21 H26 Cl N3 O4 |
| Smiles: | Cc1c(cccc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7603 |
| logD: | 1.4058 |
| logSw: | -5.4676 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.25 |
| InChI Key: | WWQCOKIGMAMRHA-UHFFFAOYSA-N |