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

C26H20F3N3O — CID 71608846

IUPAC2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)cc3n2C)cc1
InChIInChI=1S/C26H20F3N3O/c1-31-23-16-22(17-6-4-3-5-7-17)30-32(23)25(19-8-12-20(13-9-19)26(27,28)29)24(31)18-10-14-21(33-2)15-11-18/h3-16H,1-2H3
InChIKeyCMRDRFXITFYALY-UHFFFAOYSA-N
MW447.46 g/mol
LogP6.70
Rot. Bonds4

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

2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (PubChem CID 71608846) has the molecular formula C26H20F3N3O and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
PubChem CID71608846
Molecular FormulaC26H20F3N3O
Molecular Weight447.46 g/mol
Exact Mass447.16
IUPAC Name2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)cc3n2C)cc1
InChIInChI=1S/C26H20F3N3O/c1-31-23-16-22(17-6-4-3-5-7-17)30-32(23)25(19-8-12-20(13-9-19)26(27,28)29)24(31)18-10-14-21(33-2)15-11-18/h3-16H,1-2H3
InChIKeyCMRDRFXITFYALY-UHFFFAOYSA-N
XLogP6.70
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole
CID 118710916
2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710918
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
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 90515891
4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586231
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (CID 71608846) is 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)cc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The InChIKey is CMRDRFXITFYALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O/c1-31-23-16-22(17-6-4-3-5-7-17)30-32(23)25(19-8-12-20(13-9-19)26(27,28)29)24(31)18-10-14-21(33-2)15-11-18/h3-16H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole has a molecular weight of 447.46 g/mol, XLogP of 6.70, 4 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-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is sourced from PubChem (CID 71608846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).