4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole

C₂₄H₁₈N₄ — CID 71812828

About 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole

4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole (PubChem CID 71812828) has the molecular formula C₂₄H₁₈N₄ and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole.

Molecular Properties

• Compound Name: 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole
• PubChem CID: 71812828
• Molecular Formula: C₂₄H₁₈N₄
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.15
• IUPAC Name: 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole
• SMILES: c1ccc(-c2cn[nH]c2-c2ccc(-c3cn[nH]c3-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C24H18N4/c1-3-7-17(8-4-1)21-15-25-28-24(21)20-13-11-18(12-14-20)22-16-26-27-23(22)19-9-5-2-6-10-19/h1-16H,(H,25,28)(H,26,27)
• InChIKey: FHLROEXYYBBQQX-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole?

The IUPAC name of 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole (CID 71812828) is 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole.

What is the SMILES notation for 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole?

The canonical SMILES for 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole is c1ccc(-c2cn[nH]c2-c2ccc(-c3cn[nH]c3-c3ccccc3)cc2)cc1.

What is the InChIKey of 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole?

The InChIKey is FHLROEXYYBBQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-3-7-17(8-4-1)21-15-25-28-24(21)20-13-11-18(12-14-20)22-16-26-27-23(22)19-9-5-2-6-10-19/h1-16H,(H,25,28)(H,26,27).

What are the key properties of 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole?

4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole has a molecular weight of 362.44 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-5-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 71812828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71812828 — identifiers, structure, computed properties (public domain)

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