(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
Formula:C27H24N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one |
| MolecularFormula | C27H24N5OCl |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)N(CC1)CCN1c1ncccc1 |
| InChI | InChI=1S/C27H24ClN5O/c28-23-8-6-7-21(19-23)27-22(20-33(30-27)24-9-2-1-3-10-24)12-13-26(34)32-17-15-31(16-18-32)25-11-4-5-14-29-25/h1-14,19-20H,15-18H2 |
| InChIK | MACYBGGEQBZETD-UHFFFAOYSA-N |
| TotalMolweight | 469.975 |
| Molweight | 469.975 |
| MonoisotopicMass | 469.166937 |
| CLogP | 4.1432 |
| CLogS | -5.022 |
| H Acceptors | 6 |
| TotalSurfaceArea | 361.07 |
| Relative PSA | 0.13557 |
| PolarSurfaceArea | 54.26 |
| Druglikeness | 7.1372 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one | 2 - (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
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