3-amino-5-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile
Formula:C20H15N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-5-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.
| MolName | 3-amino-5-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]-1H-pyrazole-4-carbonitrile |
| MolecularFormula | C20H15N5O |
| Smiles | Nc1n[nH]c(/C(/C#N)=C/c(cccc2)c2OCc2ccccc2)c1C#N |
| InChI | InChI=1S/C20H15N5O/c21-11-16(19-17(12-22)20(23)25-24-19)10-15-8-4-5-9-18(15)26-13-14-6-2-1-3-7-14/h1-10H,13H2,(H3,23,24,25) |
| InChIK | GGWHELVBVFODQK-UHFFFAOYSA-N |
| TotalMolweight | 341.373 |
| Molweight | 341.373 |
| MonoisotopicMass | 341.12766 |
| CLogP | 2.138 |
| CLogS | -4.941 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 281.52 |
| Relative PSA | 0.27476 |
| PolarSurfaceArea | 111.51 |
| Druglikeness | -2.6526 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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