4-[(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
4-[(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | Y500-6102 |
| Compound Name: | 4-[(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]benzoic acid |
| Molecular Weight: | 338.16 |
| Molecular Formula: | C13 H12 Br N3 O3 |
| Smiles: | Cc1c(c(C(Nc2ccc(cc2)C(O)=O)=O)n(C)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0841 |
| logD: | -0.3112 |
| logSw: | -2.8123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.606 |
| InChI Key: | FWBNOIORYJWADU-UHFFFAOYSA-N |