5-amino-3-[(Z)-1-cyano-2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
Formula:C34H25N7
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
5-amino-3-[(Z)-1-cyano-2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile is not a drug-like molecule.
| MolName | 5-amino-3-[(Z)-1-cyano-2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile |
| MolecularFormula | C34H25N7 |
| Smiles | Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cc2)ccc2N(C(C2)c3ccccc3)N=C2c2ccccc2)c1C#N |
| InChI | InChI=1S/C34H25N7/c35-22-27(33-30(23-36)34(37)41(39-33)28-14-8-3-9-15-28)20-24-16-18-29(19-17-24)40-32(26-12-6-2-7-13-26)21-31(38-40)25-10-4-1-5-11-25/h1-20,32H,21,37H2/t32-/m0/s1 |
| InChIK | CUUOLMTWDZIVRL-YTTGMZPUSA-N |
| TotalMolweight | 531.622 |
| Molweight | 531.622 |
| MonoisotopicMass | 531.217143 |
| CLogP | 5.5275 |
| CLogS | -7.695 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 422.94 |
| Relative PSA | 0.17802 |
| PolarSurfaceArea | 107.02 |
| Druglikeness | -0.80711 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4878 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 5-amino-3-[(Z)-1-cyano-2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile | 2 - 5-amino-3-[(Z)-1-cyano-2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
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