3-naphthalen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C22H15N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-naphthalen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-naphthalen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C22H15N4OF3 |
| Smiles | O=C(c1cc(-c2cc3ccccc3cc2)n[nH]1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C22H15F3N4O/c23-22(24,25)18-9-5-14(6-10-18)13-26-29-21(30)20-12-19(27-28-20)17-8-7-15-3-1-2-4-16(15)11-17/h1-13H,(H,27,28)(H,29,30) |
| InChIK | HQPBSTSPWYCTJZ-UHFFFAOYSA-N |
| TotalMolweight | 408.382 |
| Molweight | 408.382 |
| MonoisotopicMass | 408.119795 |
| CLogP | 4.9421 |
| CLogS | -6.48 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 299.14 |
| Relative PSA | 0.20382 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | -1.5579 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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