N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
Formula:C23H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine is a drug-like molecule.
| MolName | N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine |
| MolecularFormula | C23H20N4O2 |
| Smiles | [O-][N+](c(cc1)ccc1-c(c(CNCc1ccccc1)c1)nn1-c1ccccc1)=O |
| InChI | InChI=1S/C23H20N4O2/c28-27(29)22-13-11-19(12-14-22)23-20(16-24-15-18-7-3-1-4-8-18)17-26(25-23)21-9-5-2-6-10-21/h1-14,17,24H,15-16H2 |
| InChIK | XUXSEQFVLUALKN-UHFFFAOYSA-N |
| TotalMolweight | 384.438 |
| Molweight | 384.438 |
| MonoisotopicMass | 384.158626 |
| CLogP | 1.0404 |
| CLogS | -4.788 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.15 |
| Relative PSA | 0.197 |
| PolarSurfaceArea | 75.67 |
| Druglikeness | -1.633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine | 2 - N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off