1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazole-3-carboxamide
Formula:C18H14N4OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C18H14N4OBrF |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C18H14BrFN4O/c19-15-5-1-14(2-6-15)12-24-10-9-17(23-24)18(25)22-21-11-13-3-7-16(20)8-4-13/h1-11H,12H2,(H,22,25) |
| InChIK | ZWHDIJZFFXDBEH-UHFFFAOYSA-N |
| TotalMolweight | 401.238 |
| Molweight | 401.238 |
| MonoisotopicMass | 400.0335 |
| CLogP | 3.5014 |
| CLogS | -4.45 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.45 |
| Relative PSA | 0.19693 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 4.0752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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1 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazole-3-carboxamide | 2 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazole-3-carboxamide
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