5-methyl-2-(4-nitrophenyl)-4-{[(prop-2-en-1-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-nitrophenyl)-4-{[(prop-2-en-1-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-nitrophenyl)-4-{[(prop-2-en-1-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-0691 |
| Compound Name: | 5-methyl-2-(4-nitrophenyl)-4-{[(prop-2-en-1-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 286.29 |
| Molecular Formula: | C14 H14 N4 O3 |
| Smiles: | CC1/C(=C/NCC=C)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4699 |
| logD: | 1.4692 |
| logSw: | -2.2587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.214 |
| InChI Key: | XNEZKCKQRJQARJ-UHFFFAOYSA-N |