N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0489 |
| Compound Name: | N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C16 H17 N7 O3 |
| Smiles: | Cc1cc(NC(CCCn2cnc(n2)[N+]([O-])=O)=O)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.5368 |
| logD: | 0.5362 |
| logSw: | -2.2235 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.004 |
| InChI Key: | XGWSZKUANARXIS-UHFFFAOYSA-N |