4-[2-(5-methyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoic acid
Chemical Structure Depiction of
4-[2-(5-methyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoic acid
4-[2-(5-methyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | Y503-3777 |
| Compound Name: | 4-[2-(5-methyl-4-nitro-1H-pyrazol-1-yl)acetamido]benzoic acid |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | Cc1c(cnn1CC(Nc1ccc(cc1)C(O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4509 |
| logD: | -0.9443 |
| logSw: | -2.1656 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.805 |
| InChI Key: | KWLMAKMZMSVYCY-UHFFFAOYSA-N |