1-(4-bromo-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-(4-bromo-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
1-(4-bromo-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | 8016-7298 |
| Compound Name: | 1-(4-bromo-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one |
| Molecular Weight: | 356.18 |
| Molecular Formula: | C12 H14 Br N5 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(n2cc(cn2)[Br])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8335 |
| logD: | 0.8335 |
| logSw: | -0.7454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.576 |
| InChI Key: | PYDNJOOGIKRFSP-UHFFFAOYSA-N |