2-(4-chlorophenyl)-5-(furan-2-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
Formula:C20H14N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-5-(furan-2-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-5-(furan-2-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C20H14N5O2Cl |
| Smiles | O=C(c1cc(-c2ccco2)nn1-c(cc1)ccc1Cl)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C20H14ClN5O2/c21-15-3-5-16(6-4-15)26-18(12-17(25-26)19-2-1-11-28-19)20(27)24-23-13-14-7-9-22-10-8-14/h1-13H,(H,24,27) |
| InChIK | SHMIUJMHHDEKKG-UHFFFAOYSA-N |
| TotalMolweight | 391.817 |
| Molweight | 391.817 |
| MonoisotopicMass | 391.083602 |
| CLogP | 3.0054 |
| CLogS | -4.549 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 298.34 |
| Relative PSA | 0.26456 |
| PolarSurfaceArea | 85.31 |
| Druglikeness | 6.1295 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-(4-chlorophenyl)-5-(furan-2-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide | 2 - 2-(4-chlorophenyl)-5-(furan-2-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
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