3-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C24H18N4O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H18N4O2ClF |
| Smiles | O=C(c1cc(-c2cccc(OCc(cccc3)c3Cl)c2)n[nH]1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C24H18ClFN4O2/c25-21-7-2-1-4-18(21)15-32-20-6-3-5-17(12-20)22-13-23(29-28-22)24(31)30-27-14-16-8-10-19(26)11-9-16/h1-14H,15H2,(H,28,29)(H,30,31) |
| InChIK | QHPUIAHQUOBWGN-UHFFFAOYSA-N |
| TotalMolweight | 448.884 |
| Molweight | 448.884 |
| MonoisotopicMass | 448.110231 |
| CLogP | 4.9543 |
| CLogS | -6.487 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 340.37 |
| Relative PSA | 0.20851 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 4.025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
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