N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | G013-0140 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C23 H20 N4 O3 |
| Smiles: | Cc1cccc(c1)n1c(c(cn1)C(NCc1ccc2c(c1)OCO2)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9804 |
| logD: | 4.9804 |
| logSw: | -4.4587 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.624 |
| InChI Key: | PKSVHKISUMWEJD-UHFFFAOYSA-N |