N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Formula:C19H10N5OCl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| MolecularFormula | C19H10N5OCl2F3S |
| Smiles | O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H10Cl2F3N5OS/c20-11-4-3-10(12(21)6-11)9-25-27-18(30)14-8-17-26-13(15-2-1-5-31-15)7-16(19(22,23)24)29(17)28-14/h1-9H,(H,27,30) |
| InChIK | RWRJRJAXAAZVLF-UHFFFAOYSA-N |
| TotalMolweight | 484.288 |
| Molweight | 484.288 |
| MonoisotopicMass | 482.993518 |
| CLogP | 5.0463 |
| CLogS | -7.54 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 325.76 |
| Relative PSA | 0.2648 |
| PolarSurfaceArea | 99.89 |
| Druglikeness | 1.0412 |
| 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 | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off