N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C20H15N6OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C20H15N6OF3S |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C20H15F3N6OS/c21-20(22,23)17-8-9-28(26-17)13-18(30)25-24-11-14-12-29(15-5-2-1-3-6-15)27-19(14)16-7-4-10-31-16/h1-12H,13H2,(H,25,30) |
| InChIK | KDSRXIPKTAXZEX-UHFFFAOYSA-N |
| TotalMolweight | 444.44 |
| Molweight | 444.44 |
| MonoisotopicMass | 444.098013 |
| CLogP | 2.6033 |
| CLogS | -4.191 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 321.59 |
| Relative PSA | 0.28623 |
| PolarSurfaceArea | 105.34 |
| Druglikeness | -3.8623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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