1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
Formula:C18H14N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C18H14N4O2Cl2 |
| Smiles | Oc1cccc(/C=N\NC(c2nn(Cc(ccc(Cl)c3)c3Cl)cc2)=O)c1 |
| InChI | InChI=1S/C18H14Cl2N4O2/c19-14-5-4-13(16(20)9-14)11-24-7-6-17(23-24)18(26)22-21-10-12-2-1-3-15(25)8-12/h1-10,25H,11H2,(H,22,26) |
| InChIK | FQDAFPQFSILSJW-UHFFFAOYSA-N |
| TotalMolweight | 389.241 |
| Molweight | 389.241 |
| MonoisotopicMass | 388.04938 |
| CLogP | 3.5417 |
| CLogS | -4.478 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 285.66 |
| Relative PSA | 0.23437 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 7.1867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide | 2 - 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
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