N-[(Z)-(4-cyanophenyl)methylideneamino]-5-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
Formula:C24H15N6OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-5-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-5-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide |
| MolecularFormula | C24H15N6OF3 |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(-c3cnccc3)nn2-c2cccc(C(F)(F)F)c2)=O)cc1 |
| InChI | InChI=1S/C24H15F3N6O/c25-24(26,27)19-4-1-5-20(11-19)33-22(12-21(32-33)18-3-2-10-29-15-18)23(34)31-30-14-17-8-6-16(13-28)7-9-17/h1-12,14-15H,(H,31,34) |
| InChIK | KKTWYNZVDMSPIF-UHFFFAOYSA-N |
| TotalMolweight | 460.418 |
| Molweight | 460.418 |
| MonoisotopicMass | 460.125943 |
| CLogP | 3.8576 |
| CLogS | -6.014 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 344.4 |
| Relative PSA | 0.22758 |
| PolarSurfaceArea | 95.96 |
| Druglikeness | -4.9147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-5-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-5-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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