1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-3716 |
| Compound Name: | 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 342.15 |
| Molecular Formula: | C11 H12 Br N5 O3 |
| Smiles: | Cc1c(c(C)n(C(Cn2c(C)cc(n2)[N+]([O-])=O)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.4687 |
| logD: | 0.4687 |
| logSw: | -1.0503 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.37 |
| InChI Key: | MCCUTJYGLMFMQO-UHFFFAOYSA-N |