4-(4-nitro-1H-pyrazol-1-yl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}butanamide
Chemical Structure Depiction of
4-(4-nitro-1H-pyrazol-1-yl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}butanamide
4-(4-nitro-1H-pyrazol-1-yl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | 8018-4514 |
| Compound Name: | 4-(4-nitro-1H-pyrazol-1-yl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}butanamide |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C18 H19 N5 O3 |
| Smiles: | C(CC(NCc1ccc(cc1)n1cccc1)=O)Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6028 |
| logD: | 1.6028 |
| logSw: | -2.0176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.561 |
| InChI Key: | ZYUONLZPFYAOFZ-UHFFFAOYSA-N |