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

C33H26F3N3O — CID 118710918

IUPAC2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(-c4ccc(C(F)(F)F)cc4)c3n2C)cc1
InChIInChI=1S/C33H26F3N3O/c1-21-9-11-25(12-10-21)31-30(24-15-19-27(40-3)20-16-24)38(2)32-28(22-13-17-26(18-14-22)33(34,35)36)29(37-39(31)32)23-7-5-4-6-8-23/h4-20H,1-3H3
InChIKeyIDGACXMZMIRPIH-UHFFFAOYSA-N
MW537.59 g/mol
LogP8.68
Rot. Bonds5

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

2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (PubChem CID 118710918) has the molecular formula C33H26F3N3O and a molecular weight of 537.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
PubChem CID118710918
Molecular FormulaC33H26F3N3O
Molecular Weight537.59 g/mol
Exact Mass537.20
IUPAC Name2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(-c4ccc(C(F)(F)F)cc4)c3n2C)cc1
InChIInChI=1S/C33H26F3N3O/c1-21-9-11-25(12-10-21)31-30(24-15-19-27(40-3)20-16-24)38(2)32-28(22-13-17-26(18-14-22)33(34,35)36)29(37-39(31)32)23-7-5-4-6-8-23/h4-20H,1-3H3
InChIKeyIDGACXMZMIRPIH-UHFFFAOYSA-N
XLogP8.68
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.59
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
4-[[3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710930
2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 71608846
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole
CID 118710916
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
5,7-ditert-butyl-3-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 11165871
5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 123855577
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (CID 118710918) is 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(-c4ccc(C(F)(F)F)cc4)c3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The InChIKey is IDGACXMZMIRPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F3N3O/c1-21-9-11-25(12-10-21)31-30(24-15-19-27(40-3)20-16-24)38(2)32-28(22-13-17-26(18-14-22)33(34,35)36)29(37-39(31)32)23-7-5-4-6-8-23/h4-20H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[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-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).