N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y503-3633 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 315.33 |
| Molecular Formula: | C16 H17 N3 O4 |
| Smiles: | CC(c1cc2c(cc1NC(c1c(C)nn(C)c1C)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0914 |
| logD: | -0.2933 |
| logSw: | -2.3209 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.413 |
| InChI Key: | FKSWCGARWVEKFF-UHFFFAOYSA-N |