3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
Chemical Structure Depiction of
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-4329 |
| Compound Name: | 3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C15 H15 N3 O3 |
| Smiles: | CCn1c(C)c(\C=C(/C(c2ccccc2)=O)[N+]([O-])=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.535 |
| logD: | 2.535 |
| logSw: | -2.4838 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.889 |
| InChI Key: | YPDOEJTWQUEYHN-UHFFFAOYSA-N |