5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8015-8945 |
| Compound Name: | 5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole |
| Molecular Weight: | 378.39 |
| Molecular Formula: | C19 H18 N6 O3 |
| Smiles: | CC(c1nc(c2ccc(cc2)n2cccc2)no1)n1c(C)c(c(C)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0909 |
| logD: | 4.0909 |
| logSw: | -4.3547 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.052 |
| InChI Key: | IFJFWUILXZIWJH-AWEZNQCLSA-N |