2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C14H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C14H14N4O2 |
| Smiles | O=C(CC(NN1)=CC1=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C14H14N4O2/c19-13(9-12-10-14(20)18-16-12)17-15-8-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,19)(H2,16,18,20) |
| InChIK | FYVVJTZSEOXUIW-UHFFFAOYSA-N |
| TotalMolweight | 270.291 |
| Molweight | 270.291 |
| MonoisotopicMass | 270.111676 |
| CLogP | -0.1505 |
| CLogS | -3.413 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 219.37 |
| Relative PSA | 0.32808 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 3.4108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off