4-{[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]methyl}benzoic acid
4-{[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y508-6326 |
| Compound Name: | 4-{[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]methyl}benzoic acid |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | CCn1cc(c(C(NCc2ccc(cc2)C(O)=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2233 |
| logD: | -1.7482 |
| logSw: | -1.9919 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.189 |
| InChI Key: | GYWMPNOAHQIRMG-UHFFFAOYSA-N |