2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole

C₃₃H₂₆F₃N₃O — CID 118710921

About 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole

2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (PubChem CID 118710921) has the molecular formula C₃₃H₂₆F₃N₃O and a molecular weight of 537.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
• PubChem CID: 118710921
• Molecular Formula: C₃₃H₂₆F₃N₃O
• Molecular Weight: 537.59 g/mol
• Exact Mass: 537.20
• IUPAC Name: 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
• SMILES: COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(-c4cccc(C)c4)c3n2C)cc1
• InChI: InChI=1S/C33H26F3N3O/c1-21-8-7-11-25(20-21)28-29(22-9-5-4-6-10-22)37-39-31(24-12-16-26(17-13-24)33(34,35)36)30(38(2)32(28)39)23-14-18-27(40-3)19-15-23/h4-20H,1-3H3
• InChIKey: KUKJABWSZGCDFR-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 31.46 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.59
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?

The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (CID 118710921) is 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.

What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?

The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(-c4cccc(C)c4)c3n2C)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?

The InChIKey is KUKJABWSZGCDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F3N3O/c1-21-8-7-11-25(20-21)28-29(22-9-5-4-6-10-22)37-39-31(24-12-16-26(17-13-24)33(34,35)36)30(38(2)32(28)39)23-14-18-27(40-3)19-15-23/h4-20H,1-3H3.

What are the key properties of 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?

2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole has a molecular weight of 537.59 g/mol, XLogP of 8.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118710921 — identifiers, structure, computed properties (public domain)

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