5-(furan-2-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Formula:C21H16N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-(furan-2-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(furan-2-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C21H16N4O2 |
| Smiles | O=C(c1n[nH]c(-c2ccco2)c1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H16N4O2/c26-21(19-13-18(23-24-19)20-7-4-12-27-20)25-22-14-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-14H,(H,23,24)(H,25,26) |
| InChIK | YASHJBXLWBBYHC-UHFFFAOYSA-N |
| TotalMolweight | 356.384 |
| Molweight | 356.384 |
| MonoisotopicMass | 356.127326 |
| CLogP | 3.7843 |
| CLogS | -5.532 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 284.53 |
| Relative PSA | 0.26387 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | 5.6457 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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