3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
Chemical Structure Depiction of
3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-4328 |
| Compound Name: | 3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one |
| Molecular Weight: | 271.27 |
| Molecular Formula: | C14 H13 N3 O3 |
| Smiles: | Cc1c(\C=C(/C(c2ccccc2)=O)[N+]([O-])=O)cnn1C |
| Stereo: | ACHIRAL |
| logP: | 2.0881 |
| logD: | 2.0881 |
| logSw: | -2.4537 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.45 |
| InChI Key: | DJONKUDYLTYXED-UHFFFAOYSA-N |