3-(4-chlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C17H11N4OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-(4-chlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H11N4OCl3 |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H11Cl3N4O/c18-11-6-4-10(5-7-11)15-8-16(23-22-15)17(25)24-21-9-12-13(19)2-1-3-14(12)20/h1-9H,(H,22,23)(H,24,25) |
| InChIK | ANNCPKMYPVEJMZ-UHFFFAOYSA-N |
| TotalMolweight | 393.66 |
| Molweight | 393.66 |
| MonoisotopicMass | 391.999842 |
| CLogP | 4.7174 |
| CLogS | -6.304 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 281.34 |
| Relative PSA | 0.21671 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-(4-chlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(4-chlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
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