N-[(Z)-(4-cyanophenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
Formula:C24H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide |
| MolecularFormula | C24H17N5O |
| Smiles | N#Cc1ccc(/C=N\NC(c2cn(-c3ccccc3)nc2-c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C24H17N5O/c25-15-18-11-13-19(14-12-18)16-26-27-24(30)22-17-29(21-9-5-2-6-10-21)28-23(22)20-7-3-1-4-8-20/h1-14,16-17H,(H,27,30) |
| InChIK | POUNOQQXIXXOTA-UHFFFAOYSA-N |
| TotalMolweight | 391.433 |
| Molweight | 391.433 |
| MonoisotopicMass | 391.14331 |
| CLogP | 3.9562 |
| CLogS | -6.007 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.18 |
| Relative PSA | 0.2132 |
| PolarSurfaceArea | 83.07 |
| Druglikeness | 2.2098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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