N-[(Z)-benzylideneamino]-3-[2-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Formula:C24H19N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-[2-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-[2-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H19N4O2Cl |
| Smiles | O=C(c1cc(-c(cccc2)c2OCc(cc2)ccc2Cl)n[nH]1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H19ClN4O2/c25-19-12-10-18(11-13-19)16-31-23-9-5-4-8-20(23)21-14-22(28-27-21)24(30)29-26-15-17-6-2-1-3-7-17/h1-15H,16H2,(H,27,28)(H,29,30) |
| InChIK | VZBCMYXBUBEOPV-UHFFFAOYSA-N |
| TotalMolweight | 430.894 |
| Molweight | 430.894 |
| MonoisotopicMass | 430.119653 |
| CLogP | 4.8535 |
| CLogS | -6.173 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.02 |
| Relative PSA | 0.21247 |
| 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 | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 - N-[(Z)-benzylideneamino]-3-[2-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-benzylideneamino]-3-[2-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
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