1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
Formula:C17H14N5OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C17H14N5OBr |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C17H14BrN5O/c18-15-3-1-14(2-4-15)12-23-10-7-16(22-23)17(24)21-20-11-13-5-8-19-9-6-13/h1-11H,12H2,(H,21,24) |
| InChIK | MPJBSHUYGIPMAR-UHFFFAOYSA-N |
| TotalMolweight | 384.236 |
| Molweight | 384.236 |
| MonoisotopicMass | 383.038171 |
| CLogP | 2.3997 |
| CLogS | -3.341 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 265.86 |
| Relative PSA | 0.24381 |
| PolarSurfaceArea | 72.17 |
| 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 | 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 | 3 |
| StereoCon |
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