N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | C883-0175 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C23 H18 N4 O4 |
| Smiles: | CC(c1cc2c(cc1NC(c1cnn(c3ccccc3)c1n1cccc1)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1126 |
| logD: | 4.0913 |
| logSw: | -4.1219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.431 |
| InChI Key: | YIXUDWFHFQORFF-UHFFFAOYSA-N |