3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C24H18N5O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H18N5O4Cl |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(-c(cc3)ccc3OCc(cc3)ccc3Cl)n[nH]2)=O)cc1)=O |
| InChI | InChI=1S/C24H18ClN5O4/c25-19-7-1-17(2-8-19)15-34-21-11-5-18(6-12-21)22-13-23(28-27-22)24(31)29-26-14-16-3-9-20(10-4-16)30(32)33/h1-14H,15H2,(H,27,28)(H,29,31) |
| InChIK | PYRXARRHRKHASN-UHFFFAOYSA-N |
| TotalMolweight | 475.891 |
| Molweight | 475.891 |
| MonoisotopicMass | 475.104732 |
| CLogP | 3.9319 |
| CLogS | -6.633 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 357.69 |
| Relative PSA | 0.28346 |
| PolarSurfaceArea | 125.19 |
| Druglikeness | 0.30611 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
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