N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C25H20N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C25H20N5OF3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C25H20F3N5O/c26-25(27,28)20-10-7-11-21(14-20)29-16-23(34)31-30-15-19-17-33(22-12-5-2-6-13-22)32-24(19)18-8-3-1-4-9-18/h1-15,17,29H,16H2,(H,31,34) |
| InChIK | LQZUGCMBRAXMQW-UHFFFAOYSA-N |
| TotalMolweight | 463.462 |
| Molweight | 463.462 |
| MonoisotopicMass | 463.161994 |
| CLogP | 4.2608 |
| CLogS | -5.834 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 349.15 |
| Relative PSA | 0.18705 |
| PolarSurfaceArea | 71.31 |
| Druglikeness | -0.75136 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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