4-[1-(cyclopentylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[1-(cyclopentylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-[1-(cyclopentylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8003-0051 |
| Compound Name: | 4-[1-(cyclopentylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | C/C(=C1\C(C)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O)NC1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1356 |
| logD: | 3.1336 |
| logSw: | -3.4347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.603 |
| InChI Key: | NSMXHRUMUFVMFX-UHFFFAOYSA-N |