N-[(Z)-(4-cyanophenyl)methylideneamino]-5-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
Formula:C23H14N5OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-5-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-5-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide |
| MolecularFormula | C23H14N5OF3S |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(-c3cccs3)nn2-c2cc(C(F)(F)F)ccc2)=O)cc1 |
| InChI | InChI=1S/C23H14F3N5OS/c24-23(25,26)17-3-1-4-18(11-17)31-20(12-19(30-31)21-5-2-10-33-21)22(32)29-28-14-16-8-6-15(13-27)7-9-16/h1-12,14H,(H,29,32) |
| InChIK | FOMFNLJEWRKKFR-UHFFFAOYSA-N |
| TotalMolweight | 465.458 |
| Molweight | 465.458 |
| MonoisotopicMass | 465.087114 |
| CLogP | 4.882 |
| CLogS | -6.73 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 341.58 |
| Relative PSA | 0.25695 |
| PolarSurfaceArea | 111.31 |
| Druglikeness | -3.7486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-5-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-5-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off