N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y205-0136 |
| Compound Name: | N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 287.32 |
| Molecular Formula: | C15 H17 N3 O3 |
| Smiles: | CCn1cc(CNC(c2ccc3c(c2)OCO3)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5431 |
| logD: | 1.5431 |
| logSw: | -2.0872 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.622 |
| InChI Key: | IKINCMNAXNLMFX-UHFFFAOYSA-N |