N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
Formula:C17H13N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H13N4OBr |
| Smiles | O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C17H13BrN4O/c18-14-8-4-5-12(9-14)11-19-22-17(23)16-10-15(20-21-16)13-6-2-1-3-7-13/h1-11H,(H,20,21)(H,22,23) |
| InChIK | UEOMKBAEGWIHQU-UHFFFAOYSA-N |
| TotalMolweight | 369.221 |
| Molweight | 369.221 |
| MonoisotopicMass | 368.027272 |
| CLogP | 3.6246 |
| CLogS | -4.93 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.71 |
| Relative PSA | 0.24031 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.8421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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