3-[3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanamido]-4-methylbenzoic acid
Chemical Structure Depiction of
3-[3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanamido]-4-methylbenzoic acid
3-[3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanamido]-4-methylbenzoic acid
Compound characteristics
| Compound ID: | Y502-5463 |
| Compound Name: | 3-[3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanamido]-4-methylbenzoic acid |
| Molecular Weight: | 366.21 |
| Molecular Formula: | C15 H16 Br N3 O3 |
| Smiles: | CC(Cn1cc(cn1)[Br])C(Nc1cc(ccc1C)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7198 |
| logD: | 0.252 |
| logSw: | -2.7412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.817 |
| InChI Key: | CMEJXKXZLYOCRN-JTQLQIEISA-N |