2-(4-nitrophenyl)-5-propyl-4-({[(pyridin-3-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-5-propyl-4-({[(pyridin-3-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(4-nitrophenyl)-5-propyl-4-({[(pyridin-3-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4616 |
| Compound Name: | 2-(4-nitrophenyl)-5-propyl-4-({[(pyridin-3-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C19 H19 N5 O3 |
| Smiles: | CCCC1\C(=C/NCc2cccnc2)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9288 |
| logD: | 1.9282 |
| logSw: | -1.832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.349 |
| InChI Key: | VJYSEWWASKXTHA-UHFFFAOYSA-N |