N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-4441 |
| Compound Name: | N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 273.29 |
| Molecular Formula: | C14 H15 N3 O3 |
| Smiles: | CCn1c(CNC(c2ccc3c(c2)OCO3)=O)ccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.4003 |
| logD: | 1.4003 |
| logSw: | -2.1778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.337 |
| InChI Key: | CGCSTSOGYJHPFE-UHFFFAOYSA-N |