5-amino-N-[(Z)-benzylideneamino]-1-phenylpyrazole-4-carboxamide
Formula:C17H15N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-N-[(Z)-benzylideneamino]-1-phenylpyrazole-4-carboxamide is a drug-like molecule.
| MolName | 5-amino-N-[(Z)-benzylideneamino]-1-phenylpyrazole-4-carboxamide |
| MolecularFormula | C17H15N5O |
| Smiles | Nc(n(-c1ccccc1)nc1)c1C(N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C17H15N5O/c18-16-15(12-20-22(16)14-9-5-2-6-10-14)17(23)21-19-11-13-7-3-1-4-8-13/h1-12H,18H2,(H,21,23) |
| InChIK | RVJRVOSWGCDSHL-UHFFFAOYSA-N |
| TotalMolweight | 305.34 |
| Molweight | 305.34 |
| MonoisotopicMass | 305.12766 |
| CLogP | 2.0445 |
| CLogS | -4.057 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 243.23 |
| Relative PSA | 0.28418 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 6.5065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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