About 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole (PubChem CID 11731192) has the molecular formula C32H24Cl2N4
and a molecular weight of 535.48 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole.
Molecular Properties
| Compound Name | 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole |
| PubChem CID | 11731192 |
| Molecular Formula | C32H24Cl2N4 |
| Molecular Weight | 535.48 g/mol |
| Exact Mass | 534.14 |
| IUPAC Name | 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole |
| SMILES | Cc1ccccc1-n1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1-c1ccc(Cl)cc1 |
| InChI | InChI=1S/C32H24Cl2N4/c1-21-7-3-5-9-29(21)37-31(23-11-15-25(33)16-12-23)19-27(35-37)28-20-32(24-13-17-26(34)18-14-24)38(36-28)30-10-6-4-8-22(30)2/h3-20H,1-2H3 |
| InChIKey | BGOIOBLRCLHGGM-UHFFFAOYSA-N |
| XLogP | 8.98 |
| TPSA | 35.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 38 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 535.48 |
| LogP ≤ 5 | 8.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole (CID 11731192) is 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole is Cc1ccccc1-n1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole?
The InChIKey is BGOIOBLRCLHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Cl2N4/c1-21-7-3-5-9-29(21)37-31(23-11-15-25(33)16-12-23)19-27(35-37)28-20-32(24-13-17-26(34)18-14-24)38(36-28)30-10-6-4-8-22(30)2/h3-20H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole?
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole has a molecular weight of 535.48 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 11731192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).