N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C14H10N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C14H10N5OF3 |
| Smiles | N#Cc1ccc(/C=N\NC(Cn2nc(C(F)(F)F)cc2)=O)cc1 |
| InChI | InChI=1S/C14H10F3N5O/c15-14(16,17)12-5-6-22(21-12)9-13(23)20-19-8-11-3-1-10(7-18)2-4-11/h1-6,8H,9H2,(H,20,23) |
| InChIK | LRXCGWFPQPKHCF-UHFFFAOYSA-N |
| TotalMolweight | 321.261 |
| Molweight | 321.261 |
| MonoisotopicMass | 321.083744 |
| CLogP | 1.4964 |
| CLogS | -3.53 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 239.88 |
| Relative PSA | 0.28102 |
| PolarSurfaceArea | 83.07 |
| Druglikeness | -9.6888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| 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 | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off