N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-phenyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-phenyl-1H-pyrazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-phenyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | F434-0053 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-phenyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C18 H15 N3 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cnn(c1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6 |
| logD: | 2.6 |
| logSw: | -2.9816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.125 |
| InChI Key: | YPGVEKPFNQOJDA-UHFFFAOYSA-N |