5-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
Formula:C17H14N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide is a drug-like molecule.
| MolName | 5-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide |
| MolecularFormula | C17H14N6O3 |
| Smiles | Nc(n(-c1ccccc1)nc1)c1C(N/N=C\c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C17H14N6O3/c18-16-15(11-20-22(16)13-4-2-1-3-5-13)17(24)21-19-10-12-6-8-14(9-7-12)23(25)26/h1-11H,18H2,(H,21,24) |
| InChIK | CFRJVUZGMUSBHO-UHFFFAOYSA-N |
| TotalMolweight | 350.337 |
| Molweight | 350.337 |
| MonoisotopicMass | 350.112739 |
| CLogP | 1.1229 |
| CLogS | -4.517 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 266.9 |
| Relative PSA | 0.37295 |
| PolarSurfaceArea | 131.12 |
| Druglikeness | 1.387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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