3-(4-chlorophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C17H12N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H12N5O3Cl |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2cc(-c(cc3)ccc3Cl)n[nH]2)=O)c1)=O |
| InChI | InChI=1S/C17H12ClN5O3/c18-13-6-4-12(5-7-13)15-9-16(21-20-15)17(24)22-19-10-11-2-1-3-14(8-11)23(25)26/h1-10H,(H,20,21)(H,22,24) |
| InChIK | NTOVKZATLVYZQC-UHFFFAOYSA-N |
| TotalMolweight | 369.767 |
| Molweight | 369.767 |
| MonoisotopicMass | 369.062867 |
| CLogP | 2.5838 |
| CLogS | -5.292 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 274.17 |
| Relative PSA | 0.33333 |
| PolarSurfaceArea | 115.96 |
| Druglikeness | 0.5502 |
| 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 | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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