3-naphthalen-2-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Formula:C23H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-naphthalen-2-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-naphthalen-2-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H18N4O |
| Smiles | O=C(c1cc(-c2cc3ccccc3cc2)n[nH]1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C23H18N4O/c28-23(27-24-14-6-9-17-7-2-1-3-8-17)22-16-21(25-26-22)20-13-12-18-10-4-5-11-19(18)15-20/h1-16H,(H,25,26)(H,27,28) |
| InChIK | AJMJJUGXNXWFNE-UHFFFAOYSA-N |
| TotalMolweight | 366.423 |
| Molweight | 366.423 |
| MonoisotopicMass | 366.148061 |
| CLogP | 4.1121 |
| CLogS | -5.994 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 296.18 |
| Relative PSA | 0.20585 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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