3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole

C24H21F3N2O — CID 11647215

IUPAC3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole
SMILESCOc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C24H21F3N2O/c1-15-7-9-17(10-8-15)14-29-23(19-12-11-18(30-3)13-16(19)2)20-5-4-6-21(22(20)28-29)24(25,26)27/h4-13H,14H2,1-3H3
InChIKeyOEYNPYXIDZOEEH-UHFFFAOYSA-N
MW410.44 g/mol
LogP6.40
Rot. Bonds4

About 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole

3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole (PubChem CID 11647215) has the molecular formula C24H21F3N2O and a molecular weight of 410.44 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole
PubChem CID11647215
Molecular FormulaC24H21F3N2O
Molecular Weight410.44 g/mol
Exact Mass410.16
IUPAC Name3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole
SMILESCOc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C24H21F3N2O/c1-15-7-9-17(10-8-15)14-29-23(19-12-11-18(30-3)13-16(19)2)20-5-4-6-21(22(20)28-29)24(25,26)27/h4-13H,14H2,1-3H3
InChIKeyOEYNPYXIDZOEEH-UHFFFAOYSA-N
XLogP6.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole (CID 11647215) is 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole is COc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(C)cc2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole?
The InChIKey is OEYNPYXIDZOEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O/c1-15-7-9-17(10-8-15)14-29-23(19-12-11-18(30-3)13-16(19)2)20-5-4-6-21(22(20)28-29)24(25,26)27/h4-13H,14H2,1-3H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole?
3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole has a molecular weight of 410.44 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 11647215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).