2-(4-nitrophenyl)-4-{[(2-phenylethyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-4-{[(2-phenylethyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(4-nitrophenyl)-4-{[(2-phenylethyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-1277 |
| Compound Name: | 2-(4-nitrophenyl)-4-{[(2-phenylethyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CCCC1/C(=C/NCCc2ccccc2)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3547 |
| logD: | 3.3538 |
| logSw: | -3.6262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.672 |
| InChI Key: | WHNZCPQPKWGOJS-UHFFFAOYSA-N |