3-naphthalen-1-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C25H18N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-naphthalen-1-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-naphthalen-1-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C25H18N4O |
| Smiles | O=C(c1cc(-c2cccc3ccccc23)n[nH]1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C25H18N4O/c30-25(29-26-16-19-11-5-9-17-7-1-3-12-20(17)19)24-15-23(27-28-24)22-14-6-10-18-8-2-4-13-21(18)22/h1-16H,(H,27,28)(H,29,30) |
| InChIK | BIEJKSHOYPQRPZ-UHFFFAOYSA-N |
| TotalMolweight | 390.445 |
| Molweight | 390.445 |
| MonoisotopicMass | 390.148061 |
| CLogP | 5.2882 |
| CLogS | -7.308 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 304.28 |
| Relative PSA | 0.20037 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6321 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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