4-{methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amino}-4-oxobut-2-enoic acid
4-{methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | Y507-0133 |
| Compound Name: | 4-{methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 223.23 |
| Molecular Formula: | C10 H13 N3 O3 |
| Smiles: | CN(Cc1ccnn1C)C(/C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4988 |
| logD: | -4.3431 |
| logSw: | -1.1421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.648 |
| InChI Key: | FGRMYSRSCBQWAC-UHFFFAOYSA-N |