5-(1-adamantyl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Formula:C19H22N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-(1-adamantyl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(1-adamantyl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C19H22N4O2 |
| Smiles | O=C(c1n[nH]c(C2(CC(C3)C4)CC4CC3C2)c1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H22N4O2/c24-18(23-20-11-15-2-1-3-25-15)16-7-17(22-21-16)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,11-14H,4-6,8-10H2,(H,21,22)(H,23,24) |
| InChIK | GAGKJNXHIOSQSP-UHFFFAOYSA-N |
| TotalMolweight | 338.41 |
| Molweight | 338.41 |
| MonoisotopicMass | 338.174276 |
| CLogP | 2.5222 |
| CLogS | -4.732 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.98 |
| Relative PSA | 0.29445 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | 5.7526 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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