N-[(Z)-benzylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide
Formula:C18H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C18H15N4OBr |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H15BrN4O/c19-16-8-6-15(7-9-16)13-23-11-10-17(22-23)18(24)21-20-12-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,24) |
| InChIK | JEUSJXRBSPOEER-UHFFFAOYSA-N |
| TotalMolweight | 383.248 |
| Molweight | 383.248 |
| MonoisotopicMass | 382.042922 |
| CLogP | 3.4006 |
| CLogS | -4.136 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.1 |
| Relative PSA | 0.20161 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.4152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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