5-methyl-2-(4-nitrophenyl)-4-({[(pyridin-4-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-nitrophenyl)-4-({[(pyridin-4-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-nitrophenyl)-4-({[(pyridin-4-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4625 |
| Compound Name: | 5-methyl-2-(4-nitrophenyl)-4-({[(pyridin-4-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 337.34 |
| Molecular Formula: | C17 H15 N5 O3 |
| Smiles: | CC1\C(=C/NCc2ccncc2)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8952 |
| logD: | 0.8918 |
| logSw: | -1.4986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.529 |
| InChI Key: | QTFGTRJNAOQOLR-UHFFFAOYSA-N |