5-methyl-2-(4-nitrophenyl)-4-{N-[(pyridin-3-yl)methyl]ethanimidoyl}-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-nitrophenyl)-4-{N-[(pyridin-3-yl)methyl]ethanimidoyl}-1,2-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-nitrophenyl)-4-{N-[(pyridin-3-yl)methyl]ethanimidoyl}-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-2037 |
| Compound Name: | 5-methyl-2-(4-nitrophenyl)-4-{N-[(pyridin-3-yl)methyl]ethanimidoyl}-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C18 H17 N5 O3 |
| Smiles: | CC1=C(C(\C)=N/Cc2cccnc2)C(N(c2ccc(cc2)[N+]([O-])=O)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0694 |
| logD: | -0.3977 |
| logSw: | -2.0133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.764 |
| InChI Key: | OMDVVIZEKZSLDF-UHFFFAOYSA-N |