N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Formula:C18H11N4OClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide |
| MolecularFormula | C18H11N4OClF4 |
| Smiles | O=C(c1c(C(F)(F)F)n(-c2ccccc2)nc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C18H11ClF4N4O/c19-14-7-4-8-15(20)12(14)9-24-26-17(28)13-10-25-27(16(13)18(21,22)23)11-5-2-1-3-6-11/h1-10H,(H,26,28) |
| InChIK | LZTISWHLPUEQMI-UHFFFAOYSA-N |
| TotalMolweight | 410.757 |
| Molweight | 410.757 |
| MonoisotopicMass | 410.05575 |
| CLogP | 3.9795 |
| CLogS | -5.308 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.94 |
| Relative PSA | 0.18833 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -0.73207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| 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 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off