N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline

C29H24F3N3 — CID 11670023

IUPACN-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)cc1
InChIInChI=1S/C29H24F3N3/c1-34(19-21-9-4-2-5-10-21)24-17-15-23(16-18-24)28-25-13-8-14-26(29(30,31)32)27(25)33-35(28)20-22-11-6-3-7-12-22/h2-18H,19-20H2,1H3
InChIKeyWXNWXURQMDIYFC-UHFFFAOYSA-N
MW471.53 g/mol
LogP7.41
Rot. Bonds6

About N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline

N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline (PubChem CID 11670023) has the molecular formula C29H24F3N3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline
PubChem CID11670023
Molecular FormulaC29H24F3N3
Molecular Weight471.53 g/mol
Exact Mass471.19
IUPAC NameN-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)cc1
InChIInChI=1S/C29H24F3N3/c1-34(19-21-9-4-2-5-10-21)24-17-15-23(16-18-24)28-25-13-8-14-26(29(30,31)32)27(25)33-35(28)20-22-11-6-3-7-12-22/h2-18H,19-20H2,1H3
InChIKeyWXNWXURQMDIYFC-UHFFFAOYSA-N
XLogP7.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline?
The IUPAC name of N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline (CID 11670023) is N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline.
What is the SMILES notation for N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline?
The canonical SMILES for N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline is CN(Cc1ccccc1)c1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline?
The InChIKey is WXNWXURQMDIYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N3/c1-34(19-21-9-4-2-5-10-21)24-17-15-23(16-18-24)28-25-13-8-14-26(29(30,31)32)27(25)33-35(28)20-22-11-6-3-7-12-22/h2-18H,19-20H2,1H3.
What are the key properties of N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline?
N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline has a molecular weight of 471.53 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline is sourced from PubChem (CID 11670023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).