4-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propanamido]benzoic acid
Chemical Structure Depiction of
4-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propanamido]benzoic acid
4-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propanamido]benzoic acid
Compound characteristics
| Compound ID: | Y502-9650 |
| Compound Name: | 4-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propanamido]benzoic acid |
| Molecular Weight: | 307.73 |
| Molecular Formula: | C14 H14 Cl N3 O3 |
| Smiles: | Cc1c(cn(CCC(Nc2ccc(cc2)C(O)=O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.0812 |
| logD: | -0.314 |
| logSw: | -3.0485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.633 |
| InChI Key: | XTPBEBXUZFFTMK-UHFFFAOYSA-N |