3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Formula:C19H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C19H16N4O |
| Smiles | O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H16N4O/c24-19(23-20-13-7-10-15-8-3-1-4-9-15)18-14-17(21-22-18)16-11-5-2-6-12-16/h1-14H,(H,21,22)(H,23,24) |
| InChIK | YNZSEBRDZMTLQU-UHFFFAOYSA-N |
| TotalMolweight | 316.363 |
| Molweight | 316.363 |
| MonoisotopicMass | 316.132411 |
| CLogP | 2.9177 |
| CLogS | -4.388 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.58 |
| Relative PSA | 0.23308 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6288 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| 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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