N-[(Z)-(3-nitrophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Formula:C24H19N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H19N5O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(c2cc(-c3cc(OCc4ccccc4)ccc3)n[nH]2)=O)ccc1)=O |
| InChI | InChI=1S/C24H19N5O4/c30-24(28-25-15-18-8-4-10-20(12-18)29(31)32)23-14-22(26-27-23)19-9-5-11-21(13-19)33-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,26,27)(H,28,30) |
| InChIK | GIXKFSHBNGEAKR-UHFFFAOYSA-N |
| TotalMolweight | 441.446 |
| Molweight | 441.446 |
| MonoisotopicMass | 441.143705 |
| CLogP | 3.3259 |
| CLogS | -5.897 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 342.27 |
| Relative PSA | 0.29623 |
| PolarSurfaceArea | 125.19 |
| Druglikeness | 0.25984 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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