1-[3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazol-4-yl]ethan-1-one
1-[3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8014-1130 |
| Compound Name: | 1-[3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazol-4-yl]ethan-1-one |
| Molecular Weight: | 287.27 |
| Molecular Formula: | C14 H13 N3 O4 |
| Smiles: | CC(c1c(C)nn(C(c2cccc(c2)[N+]([O-])=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1984 |
| logD: | 1.1984 |
| logSw: | -2.0988 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.061 |
| InChI Key: | JXEAOQUXGBYQFT-UHFFFAOYSA-N |