ethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | D039-0089 |
| Compound Name: | ethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | CCOC(c1c(C)c(NC(NC2=C(C)N(C)N(C2=O)c2ccccc2)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6594 |
| logD: | 1.6576 |
| logSw: | -1.8785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.527 |
| InChI Key: | WBDNSVSICRZPCT-UHFFFAOYSA-N |