N-[(Z)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C12H10N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C12H10N5OF3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C12H10F3N5O/c13-12(14,15)10-3-6-20(19-10)8-11(21)18-17-7-9-1-4-16-5-2-9/h1-7H,8H2,(H,18,21) |
| InChIK | LOTIFSTYJINZEN-UHFFFAOYSA-N |
| TotalMolweight | 297.239 |
| Molweight | 297.239 |
| MonoisotopicMass | 297.083744 |
| CLogP | 0.6599 |
| CLogS | -1.962 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 216.93 |
| Relative PSA | 0.29881 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | -5.4088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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