4-({[3-(1H-imidazol-1-yl)propyl]imino}methyl)-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[3-(1H-imidazol-1-yl)propyl]imino}methyl)-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
4-({[3-(1H-imidazol-1-yl)propyl]imino}methyl)-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2703 |
| Compound Name: | 4-({[3-(1H-imidazol-1-yl)propyl]imino}methyl)-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C19 H22 N6 O3 |
| Smiles: | CCCC1=C(/C=N/CCCn2ccnc2)C(N(c2ccc(cc2)[N+]([O-])=O)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2822 |
| logD: | 0.1841 |
| logSw: | -2.4818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.182 |
| InChI Key: | XPBFJGBHYCRICO-UHFFFAOYSA-N |