3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C24H17N4O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H17N4O2Cl3 |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCc(cc2)ccc2Cl)n[nH]1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C24H17Cl3N4O2/c25-18-6-1-15(2-7-18)14-33-20-9-4-16(5-10-20)22-12-23(30-29-22)24(32)31-28-13-17-3-8-19(26)11-21(17)27/h1-13H,14H2,(H,29,30)(H,31,32) |
| InChIK | WYLPOCBWZNGIDO-UHFFFAOYSA-N |
| TotalMolweight | 499.784 |
| Molweight | 499.784 |
| MonoisotopicMass | 498.041707 |
| CLogP | 6.0655 |
| CLogS | -7.645 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 364.86 |
| Relative PSA | 0.19451 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 5.365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
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