4-oxo-4-[(4-phenyl-1H-pyrazol-5-yl)amino]but-2-enoic acid
Chemical Structure Depiction of
4-oxo-4-[(4-phenyl-1H-pyrazol-5-yl)amino]but-2-enoic acid
4-oxo-4-[(4-phenyl-1H-pyrazol-5-yl)amino]but-2-enoic acid
Compound characteristics
| Compound ID: | 8020-0393 |
| Compound Name: | 4-oxo-4-[(4-phenyl-1H-pyrazol-5-yl)amino]but-2-enoic acid |
| Molecular Weight: | 257.25 |
| Molecular Formula: | C13 H11 N3 O3 |
| Smiles: | C(=C/C(Nc1c(cn[nH]1)c1ccccc1)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5802 |
| logD: | -2.8781 |
| logSw: | -2.1412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.831 |
| InChI Key: | BCLVWJYCCSVQBE-UHFFFAOYSA-N |