5-(1-adamantyl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Formula:C20H23N5O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
5-(1-adamantyl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(1-adamantyl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C20H23N5O |
| Smiles | O=C(c1n[nH]c(C2(CC(C3)C4)CC4CC3C2)c1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C20H23N5O/c26-19(25-22-12-16-3-1-2-4-21-16)17-8-18(24-23-17)20-9-13-5-14(10-20)7-15(6-13)11-20/h1-4,8,12-15H,5-7,9-11H2,(H,23,24)(H,25,26) |
| InChIK | LTKYQQYWFUMQEJ-UHFFFAOYSA-N |
| TotalMolweight | 349.437 |
| Molweight | 349.437 |
| MonoisotopicMass | 349.19026 |
| CLogP | 2.3866 |
| CLogS | -4.279 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 264.05 |
| Relative PSA | 0.27245 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 6.1512 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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