N-(2-chloropyridin-3-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-chloropyridin-3-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(2-chloropyridin-3-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0248 |
| Compound Name: | N-(2-chloropyridin-3-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 337.76 |
| Molecular Formula: | C14 H16 Cl N5 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cccnc2[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6683 |
| logD: | 0.6664 |
| logSw: | -2.347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.415 |
| InChI Key: | HQBRLRRZPVADQI-UHFFFAOYSA-N |