3-(4-bromophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Formula:C19H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-bromophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C19H15N4OBr |
| Smiles | O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H15BrN4O/c20-16-10-8-15(9-11-16)17-13-18(23-22-17)19(25)24-21-12-4-7-14-5-2-1-3-6-14/h1-13H,(H,22,23)(H,24,25) |
| InChIK | PXKJGZWIJWLJLG-UHFFFAOYSA-N |
| TotalMolweight | 395.259 |
| Molweight | 395.259 |
| MonoisotopicMass | 394.042922 |
| CLogP | 3.6429 |
| CLogS | -5.222 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 280.21 |
| Relative PSA | 0.21759 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.8388 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-(4-bromophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide | 2 - 3-(4-bromophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
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