ethyl 2-{[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]methylidene}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 2-{[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]methylidene}-3-oxobutanoate
ethyl 2-{[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]methylidene}-3-oxobutanoate
Compound characteristics
| Compound ID: | C430-0577 |
| Compound Name: | ethyl 2-{[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]methylidene}-3-oxobutanoate |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C17 H19 N3 O3 |
| Smiles: | CCOC(C(=C/Nc1cc(C)nn1c1ccccc1)/C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.95 |
| logD: | 0.9863 |
| logSw: | -2.386 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.661 |
| InChI Key: | WMPSRHQCMYHNHV-UHFFFAOYSA-N |