3-(4-bromophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C15H11N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-bromophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C15H11N4OBrS |
| Smiles | O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H11BrN4OS/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(21)20-17-9-12-2-1-7-22-12/h1-9H,(H,18,19)(H,20,21) |
| InChIK | IWQZEIQKDNHDGG-UHFFFAOYSA-N |
| TotalMolweight | 375.249 |
| Molweight | 375.249 |
| MonoisotopicMass | 373.983692 |
| CLogP | 3.4912 |
| CLogS | -4.94 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.65 |
| Relative PSA | 0.32578 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 5.0827 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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