1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one
1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-3500 |
| Compound Name: | 1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C15 H15 N3 O3 |
| Smiles: | CCn1cc(C(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5423 |
| logD: | 2.5423 |
| logSw: | -2.7089 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.45 |
| InChI Key: | OKXXCBRULLIOHC-UHFFFAOYSA-N |