N-{3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 8016-9543 |
| Compound Name: | N-{3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | Cc1cccc(Cn2c(cc(C)n2)NC(c2ccc3c(c2)OCO3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.722 |
| logD: | 3.7216 |
| logSw: | -3.9159 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.55 |
| InChI Key: | WLLYOBMHRHIBEG-UHFFFAOYSA-N |