N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide
N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y503-1813 |
| Compound Name: | N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 433.69 |
| Molecular Formula: | C14 H18 Br Cl N6 O3 |
| Smiles: | Cc1c(c(C)n(CCCNC(CCn2cc(c(n2)[N+]([O-])=O)[Cl])=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.0247 |
| logD: | 1.0247 |
| logSw: | -2.5409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.658 |
| InChI Key: | PBNVHAIGKKOJFL-UHFFFAOYSA-N |