3-(1-methyl-1H-pyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-(1-methyl-1H-pyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one
3-(1-methyl-1H-pyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-6486 |
| Compound Name: | 3-(1-methyl-1H-pyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 257.25 |
| Molecular Formula: | C13 H11 N3 O3 |
| Smiles: | Cn1cc(/C=C/C(c2cccc(c2)[N+]([O-])=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.7376 |
| logD: | 1.7376 |
| logSw: | -1.9631 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.404 |
| InChI Key: | PZSBTNXZZBSWSZ-UHFFFAOYSA-N |