2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1,5-bis(1-methyl-1H-pyrazol-4-yl)penta-1,4-dien-3-one
Chemical Structure Depiction of
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1,5-bis(1-methyl-1H-pyrazol-4-yl)penta-1,4-dien-3-one
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1,5-bis(1-methyl-1H-pyrazol-4-yl)penta-1,4-dien-3-one
Compound characteristics
| Compound ID: | Y507-4829 |
| Compound Name: | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1,5-bis(1-methyl-1H-pyrazol-4-yl)penta-1,4-dien-3-one |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C18 H19 N7 O3 |
| Smiles: | Cc1c(c(C)n(C(=C\c2cnn(C)c2)\C(/C=C/c2cnn(C)c2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7167 |
| logD: | 0.7167 |
| logSw: | -0.8148 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.906 |
| InChI Key: | GVOCQBQKUPVJMU-UHFFFAOYSA-N |