dimethyl 2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)but-2-enedioate
Chemical Structure Depiction of
dimethyl 2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)but-2-enedioate
dimethyl 2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)but-2-enedioate
Compound characteristics
| Compound ID: | 8018-4798 |
| Compound Name: | dimethyl 2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)but-2-enedioate |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C16 H18 N2 O4 |
| Smiles: | CC1CC(c2ccccc2)N(C(=C\C(=O)OC)\C(=O)OC)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9743 |
| logD: | 1.2746 |
| logSw: | -3.0562 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.265 |
| InChI Key: | LQLSMMBPRMJIJI-ZDUSSCGKSA-N |