3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C23H18N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H18N5O2Cl |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCc(cccc2)c2Cl)n[nH]1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C23H18ClN5O2/c24-20-4-2-1-3-18(20)15-31-19-7-5-17(6-8-19)21-13-22(28-27-21)23(30)29-26-14-16-9-11-25-12-10-16/h1-14H,15H2,(H,27,28)(H,29,30) |
| InChIK | MYRMSFHWGHYXKC-UHFFFAOYSA-N |
| TotalMolweight | 431.882 |
| Molweight | 431.882 |
| MonoisotopicMass | 431.114902 |
| CLogP | 3.8526 |
| CLogS | -5.378 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 332.78 |
| Relative PSA | 0.24623 |
| PolarSurfaceArea | 92.26 |
| Druglikeness | 5.365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
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