5-methyl-2-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4627 |
| Compound Name: | 5-methyl-2-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C18 H21 N5 O4 |
| Smiles: | CC1\C(=C/NCCCN2CCCC2=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3882 |
| logD: | 0.385 |
| logSw: | -1.9613 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.454 |
| InChI Key: | XXWNVUPLSNEDAM-UHFFFAOYSA-N |