N-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazole-1-carboxamide
Formula:C18H11N4OCl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazole-1-carboxamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazole-1-carboxamide |
| MolecularFormula | C18H11N4OCl2F3 |
| Smiles | O=C(Nc(cc1)ccc1Cl)n1nc(/C=C/c(ncc(C(F)(F)F)c2)c2Cl)cc1 |
| InChI | InChI=1S/C18H11Cl2F3N4O/c19-12-1-3-13(4-2-12)25-17(28)27-8-7-14(26-27)5-6-16-15(20)9-11(10-24-16)18(21,22)23/h1-10H,(H,25,28) |
| InChIK | WZTQOADWNBOYJA-UHFFFAOYSA-N |
| TotalMolweight | 427.212 |
| Molweight | 427.212 |
| MonoisotopicMass | 426.026199 |
| CLogP | 4.6457 |
| CLogS | -6.164 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.51 |
| Relative PSA | 0.1804 |
| PolarSurfaceArea | 59.81 |
| Druglikeness | -4.0496 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazole-1-carboxamide | 2 - N-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazole-1-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off