4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]benzoic acid
Chemical Structure Depiction of
4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]benzoic acid
4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]benzoic acid
Compound characteristics
| Compound ID: | Y503-1708 |
| Compound Name: | 4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]benzoic acid |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | CC(C(Nc1ccc(cc1)C(O)=O)=O)n1c(C)cc(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3743 |
| logD: | -1.0209 |
| logSw: | -2.0551 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.872 |
| InChI Key: | JGKWVYOQVXBESL-VIFPVBQESA-N |