5-(1-adamantyl)-N-[(Z)-benzylideneamino]-1H-pyrazole-3-carboxamide
Formula:C21H24N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(1-adamantyl)-N-[(Z)-benzylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(1-adamantyl)-N-[(Z)-benzylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C21H24N4O |
| Smiles | O=C(c1n[nH]c(C2(CC(C3)C4)CC4CC3C2)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H24N4O/c26-20(25-22-13-14-4-2-1-3-5-14)18-9-19(24-23-18)21-10-15-6-16(11-21)8-17(7-15)12-21/h1-5,9,13,15-17H,6-8,10-12H2,(H,23,24)(H,25,26) |
| InChIK | NDGXKASEMFVWPF-UHFFFAOYSA-N |
| TotalMolweight | 348.449 |
| Molweight | 348.449 |
| MonoisotopicMass | 348.195011 |
| CLogP | 3.3335 |
| CLogS | -5.05 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 265.29 |
| Relative PSA | 0.22982 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 6.1512 |
| Mutagenic | none |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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