1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 1890-0666 |
| Compound Name: | 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 280.32 |
| Molecular Formula: | C13 H20 N4 O3 |
| Smiles: | Cc1c(c(C)n(CC(N2CCCCCC2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1455 |
| logD: | 1.1455 |
| logSw: | -1.1515 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.023 |
| InChI Key: | DFLQPVPZRIXOKU-UHFFFAOYSA-N |