N-{3,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{3,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 8016-6775 |
| Compound Name: | N-{3,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | Cc1cccc(Cn2c(C)c(c(C)n2)NC(c2ccc3c(c2)OCO3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0795 |
| logD: | 3.0793 |
| logSw: | -3.1533 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.331 |
| InChI Key: | NDNJABNYRKGZFM-UHFFFAOYSA-N |