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

C28H22F3N3 — CID 11626697

IUPACN-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline
SMILESFC(F)(F)c1cccc2c(-c3ccc(NCc4ccccc4)cc3)n(Cc3ccccc3)nc12
InChIInChI=1S/C28H22F3N3/c29-28(30,31)25-13-7-12-24-26(25)33-34(19-21-10-5-2-6-11-21)27(24)22-14-16-23(17-15-22)32-18-20-8-3-1-4-9-20/h1-17,32H,18-19H2
InChIKeyQQZUKPVNJUBOGG-UHFFFAOYSA-N
MW457.50 g/mol
LogP7.38
Rot. Bonds6

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

N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline (PubChem CID 11626697) has the molecular formula C28H22F3N3 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline.

Molecular Properties

Compound NameN-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline
PubChem CID11626697
Molecular FormulaC28H22F3N3
Molecular Weight457.50 g/mol
Exact Mass457.18
IUPAC NameN-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline
SMILESFC(F)(F)c1cccc2c(-c3ccc(NCc4ccccc4)cc3)n(Cc3ccccc3)nc12
InChIInChI=1S/C28H22F3N3/c29-28(30,31)25-13-7-12-24-26(25)33-34(19-21-10-5-2-6-11-21)27(24)22-14-16-23(17-15-22)32-18-20-8-3-1-4-9-20/h1-17,32H,18-19H2
InChIKeyQQZUKPVNJUBOGG-UHFFFAOYSA-N
XLogP7.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 57.38
H-Bond Donors ≤ 51
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]aniline?
The IUPAC name of N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline (CID 11626697) is N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline.
What is the SMILES notation for N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline?
The canonical SMILES for N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline is FC(F)(F)c1cccc2c(-c3ccc(NCc4ccccc4)cc3)n(Cc3ccccc3)nc12.
What is the InChIKey of N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline?
The InChIKey is QQZUKPVNJUBOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N3/c29-28(30,31)25-13-7-12-24-26(25)33-34(19-21-10-5-2-6-11-21)27(24)22-14-16-23(17-15-22)32-18-20-8-3-1-4-9-20/h1-17,32H,18-19H2.
What are the key properties of N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline?
N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]aniline has a molecular weight of 457.50 g/mol, XLogP of 7.38, 6 rotatable bonds, 1 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]aniline is sourced from PubChem (CID 11626697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).