1-[(4-nitrophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide
Formula:C25H21N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-nitrophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-nitrophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C25H21N5O4 |
| Smiles | [O-][N+](c1ccc(Cn(cc2)nc2C(N/N=C\c(cccc2)c2OCc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C25H21N5O4/c31-25(23-14-15-29(28-23)17-19-10-12-22(13-11-19)30(32)33)27-26-16-21-8-4-5-9-24(21)34-18-20-6-2-1-3-7-20/h1-16H,17-18H2,(H,27,31) |
| InChIK | PZRMBEHYKWMBJU-UHFFFAOYSA-N |
| TotalMolweight | 455.473 |
| Molweight | 455.473 |
| MonoisotopicMass | 455.159355 |
| CLogP | 3.1019 |
| CLogS | -5.103 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 355.66 |
| Relative PSA | 0.26506 |
| PolarSurfaceArea | 114.33 |
| Druglikeness | 1.7813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| 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 |
Click to Load Molecule:
1 - 1-[(4-nitrophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide | 2 - 1-[(4-nitrophenyl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off