3-(4-bromophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C16H12N5OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-bromophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C16H12N5OBr |
| Smiles | O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C16H12BrN5O/c17-13-3-1-12(2-4-13)14-9-15(21-20-14)16(23)22-19-10-11-5-7-18-8-6-11/h1-10H,(H,20,21)(H,22,23) |
| InChIK | STEXDJOFZUPAGZ-UHFFFAOYSA-N |
| TotalMolweight | 370.209 |
| Molweight | 370.209 |
| MonoisotopicMass | 369.022521 |
| CLogP | 2.6237 |
| CLogS | -4.135 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 252.47 |
| Relative PSA | 0.28494 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 3.8421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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