3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C24H19N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H19N4O3Cl |
| Smiles | Oc1cccc(/C=N\NC(c2cc(-c(cc3)ccc3OCc(cc3)ccc3Cl)n[nH]2)=O)c1 |
| InChI | InChI=1S/C24H19ClN4O3/c25-19-8-4-16(5-9-19)15-32-21-10-6-18(7-11-21)22-13-23(28-27-22)24(31)29-26-14-17-2-1-3-20(30)12-17/h1-14,30H,15H2,(H,27,28)(H,29,31) |
| InChIK | BCHWVBGRKDCQFB-UHFFFAOYSA-N |
| TotalMolweight | 446.893 |
| Molweight | 446.893 |
| MonoisotopicMass | 446.114568 |
| CLogP | 4.5078 |
| CLogS | -5.877 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 340.37 |
| Relative PSA | 0.247 |
| PolarSurfaceArea | 99.6 |
| Druglikeness | 5.3659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| 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 | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
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