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

C33H26F3N3O — CID 118710921

IUPAC2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(-c4cccc(C)c4)c3n2C)cc1
InChIInChI=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
InChIKeyKUKJABWSZGCDFR-UHFFFAOYSA-N
MW537.59 g/mol
LogP8.68
Rot. Bonds5

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 Name2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
PubChem CID118710921
Molecular FormulaC33H26F3N3O
Molecular Weight537.59 g/mol
Exact Mass537.20
IUPAC Name2-(4-methoxyphenyl)-1-methyl-7-(3-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(-c4cccc(C)c4)c3n2C)cc1
InChIInChI=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
InChIKeyKUKJABWSZGCDFR-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

2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 102313335
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710922
1-(1,3-diphenyl-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)-1H-benzimidazole
CID 2836105
3-[3-(4-Methoxyphenyl)-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile
CID 2999471
2-(4-Methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
CID 118710903
2-(4-Methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710919
3-(4-Methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710929
2-(4-Methoxyphenyl)-1-methyl-3,7-bis[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
CID 118710932
5-(4-Methoxyphenyl)-2-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241321
2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 71608846
3-(4-Methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710891
2,3-Bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 118710892

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).