N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | IB07-1645 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-phenyl-3-(propan-2-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | CC(C)c1cc(C(NCc2ccc3c(c2)OCO3)=O)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.99 |
| logD: | 3.99 |
| logSw: | -4.57 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.85 |
| InChI Key: | OZRRRETUYMDVGI-UHFFFAOYSA-N |