N-[(Z)-(3-nitrophenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
Formula:C25H21N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C25H21N5O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(c2cc(-c(cc3)ccc3OCCc3ccccc3)n[nH]2)=O)ccc1)=O |
| InChI | InChI=1S/C25H21N5O4/c31-25(29-26-17-19-7-4-8-21(15-19)30(32)33)24-16-23(27-28-24)20-9-11-22(12-10-20)34-14-13-18-5-2-1-3-6-18/h1-12,15-17H,13-14H2,(H,27,28)(H,29,31) |
| InChIK | PCNJGGRKDKGMQN-UHFFFAOYSA-N |
| TotalMolweight | 455.473 |
| Molweight | 455.473 |
| MonoisotopicMass | 455.159355 |
| CLogP | 3.756 |
| CLogS | -6.009 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 356.03 |
| Relative PSA | 0.28478 |
| PolarSurfaceArea | 125.19 |
| Druglikeness | 0.0040546 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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