5-(1-adamantyl)-N-[(Z)-(4-bromophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Formula:C21H23N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(1-adamantyl)-N-[(Z)-(4-bromophenyl)methylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(1-adamantyl)-N-[(Z)-(4-bromophenyl)methylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C21H23N4OBr |
| Smiles | O=C(c1n[nH]c(C2(CC(C3)C4)CC4CC3C2)c1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C21H23BrN4O/c22-17-3-1-13(2-4-17)12-23-26-20(27)18-8-19(25-24-18)21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,8,12,14-16H,5-7,9-11H2,(H,24,25)(H,26,27) |
| InChIK | FAWUJJMFIAXHJL-UHFFFAOYSA-N |
| TotalMolweight | 427.345 |
| Molweight | 427.345 |
| MonoisotopicMass | 426.105522 |
| CLogP | 4.0587 |
| CLogS | -5.884 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 283.92 |
| Relative PSA | 0.21474 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.3612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| 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 | 10 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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