5-(1-adamantyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Formula:C21H24N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(1-adamantyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(1-adamantyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C21H24N4O2 |
| Smiles | Oc1cccc(/C=N\NC(c2n[nH]c(C3(CC(C4)C5)CC5CC4C3)c2)=O)c1 |
| InChI | InChI=1S/C21H24N4O2/c26-17-3-1-2-13(7-17)12-22-25-20(27)18-8-19(24-23-18)21-9-14-4-15(10-21)6-16(5-14)11-21/h1-3,7-8,12,14-16,26H,4-6,9-11H2,(H,23,24)(H,25,27) |
| InChIK | YSVZODMGIMEAHM-UHFFFAOYSA-N |
| TotalMolweight | 364.448 |
| Molweight | 364.448 |
| MonoisotopicMass | 364.189926 |
| CLogP | 2.9878 |
| CLogS | -4.754 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 271.64 |
| Relative PSA | 0.27268 |
| PolarSurfaceArea | 90.37 |
| Druglikeness | 6.1383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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