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

C27H20F3N3 — CID 11690805

IUPAC3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline
SMILESFC(F)(F)c1cccc2c(-c3cccc(Nc4ccccc4)c3)n(Cc3ccccc3)nc12
InChIInChI=1S/C27H20F3N3/c28-27(29,30)24-16-8-15-23-25(24)32-33(18-19-9-3-1-4-10-19)26(23)20-11-7-14-22(17-20)31-21-12-5-2-6-13-21/h1-17,31H,18H2
InChIKeyHZHYDLOAZACUFJ-UHFFFAOYSA-N
MW443.47 g/mol
LogP7.51
Rot. Bonds5

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

3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline (PubChem CID 11690805) has the molecular formula C27H20F3N3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline.

Molecular Properties

Compound Name3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline
PubChem CID11690805
Molecular FormulaC27H20F3N3
Molecular Weight443.47 g/mol
Exact Mass443.16
IUPAC Name3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline
SMILESFC(F)(F)c1cccc2c(-c3cccc(Nc4ccccc4)c3)n(Cc3ccccc3)nc12
InChIInChI=1S/C27H20F3N3/c28-27(29,30)24-16-8-15-23-25(24)32-33(18-19-9-3-1-4-10-19)26(23)20-11-7-14-22(17-20)31-21-12-5-2-6-13-21/h1-17,31H,18H2
InChIKeyHZHYDLOAZACUFJ-UHFFFAOYSA-N
XLogP7.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline?
The IUPAC name of 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline (CID 11690805) is 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline.
What is the SMILES notation for 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline?
The canonical SMILES for 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline is FC(F)(F)c1cccc2c(-c3cccc(Nc4ccccc4)c3)n(Cc3ccccc3)nc12.
What is the InChIKey of 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline?
The InChIKey is HZHYDLOAZACUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3/c28-27(29,30)24-16-8-15-23-25(24)32-33(18-19-9-3-1-4-10-19)26(23)20-11-7-14-22(17-20)31-21-12-5-2-6-13-21/h1-17,31H,18H2.
What are the key properties of 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline?
3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline has a molecular weight of 443.47 g/mol, XLogP of 7.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline is sourced from PubChem (CID 11690805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).