3-(4-fluorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C21H15N4OF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-(4-fluorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-fluorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H15N4OF |
| Smiles | O=C(c1cc(-c(cc2)ccc2F)n[nH]1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C21H15FN4O/c22-17-10-8-15(9-11-17)19-12-20(25-24-19)21(27)26-23-13-16-6-3-5-14-4-1-2-7-18(14)16/h1-13H,(H,24,25)(H,26,27) |
| InChIK | SZELCHRWRKEDSX-UHFFFAOYSA-N |
| TotalMolweight | 358.375 |
| Molweight | 358.375 |
| MonoisotopicMass | 358.122989 |
| CLogP | 4.1946 |
| CLogS | -6.016 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.03 |
| Relative PSA | 0.22088 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.2921 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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