4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one
Chemical Structure Depiction of
4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one
4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one
Compound characteristics
| Compound ID: | Y503-3097 |
| Compound Name: | 4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one |
| Molecular Weight: | 224.22 |
| Molecular Formula: | C9 H12 N4 O3 |
| Smiles: | CC(/C(=C\N(C)C)n1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2251 |
| logD: | -0.2686 |
| logSw: | -0.3836 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.45 |
| InChI Key: | SOQHARUVJGBKTK-UHFFFAOYSA-N |