3-(4-bromophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C17H12N4OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-bromophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H12N4OBrF |
| Smiles | O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H12BrFN4O/c18-13-5-3-12(4-6-13)15-9-16(22-21-15)17(24)23-20-10-11-1-7-14(19)8-2-11/h1-10H,(H,21,22)(H,23,24) |
| InChIK | BMFNZUYIZZGQCO-UHFFFAOYSA-N |
| TotalMolweight | 387.211 |
| Molweight | 387.211 |
| MonoisotopicMass | 386.01785 |
| CLogP | 3.7254 |
| CLogS | -5.244 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.06 |
| Relative PSA | 0.23445 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 2.5021 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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