N-(3-chlorophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(3-chlorophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0228 |
| Compound Name: | N-(3-chlorophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 336.78 |
| Molecular Formula: | C15 H17 Cl N4 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cccc(c2)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1841 |
| logD: | 2.1833 |
| logSw: | -3.2982 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.428 |
| InChI Key: | XEXFNFGBRSBHEJ-UHFFFAOYSA-N |