3-(4-fluorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
Formula:C21H14N5O4F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-(4-fluorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide is a drug-like molecule.
| MolName | 3-(4-fluorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide |
| MolecularFormula | C21H14N5O4F |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)=O)o1)=O |
| InChI | InChI=1S/C21H14FN5O4/c22-15-8-6-14(7-9-15)20-18(13-26(25-20)16-4-2-1-3-5-16)21(28)24-23-12-17-10-11-19(31-17)27(29)30/h1-13H,(H,24,28) |
| InChIK | LOSARZLAJAULKL-UHFFFAOYSA-N |
| TotalMolweight | 419.371 |
| Molweight | 419.371 |
| MonoisotopicMass | 419.102983 |
| CLogP | 2.8399 |
| CLogS | -6.215 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 314.18 |
| Relative PSA | 0.31313 |
| PolarSurfaceArea | 118.24 |
| Druglikeness | 3.3473 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4-fluorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide | 2 - 3-(4-fluorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off