4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobut-2-enoic acid
4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | Y507-0132 |
| Compound Name: | 4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 237.26 |
| Molecular Formula: | C11 H15 N3 O3 |
| Smiles: | CCn1c(C)c(CNC(/C=C/C(O)=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 0.2868 |
| logD: | -3.7584 |
| logSw: | -1.1792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.019 |
| InChI Key: | OHRGUFUUMNGBTF-UHFFFAOYSA-N |