2-(5-oxo-1,4-dihydropyrazol-3-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C13H11N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-oxo-1,4-dihydropyrazol-3-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-oxo-1,4-dihydropyrazol-3-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C13H11N4O2F3 |
| Smiles | O=C(CC(C1)=NNC1=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C13H11F3N4O2/c14-13(15,16)10-4-2-1-3-8(10)7-17-19-11(21)5-9-6-12(22)20-18-9/h1-4,7H,5-6H2,(H,19,21)(H,20,22) |
| InChIK | JWUCLLHRERMIGE-UHFFFAOYSA-N |
| TotalMolweight | 312.25 |
| Molweight | 312.25 |
| MonoisotopicMass | 312.08341 |
| CLogP | 1.9319 |
| CLogS | -3.948 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 222.89 |
| Relative PSA | 0.32312 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -2.4561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(5-oxo-1,4-dihydropyrazol-3-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(5-oxo-1,4-dihydropyrazol-3-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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