2-benzyl-3-phenyl-7-(trifluoromethyl)indazole

C21H15F3N2 — CID 25137977

IUPAC2-benzyl-3-phenyl-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3ccccc3)n(Cc3ccccc3)nc12
InChIInChI=1S/C21H15F3N2/c22-21(23,24)18-13-7-12-17-19(18)25-26(14-15-8-3-1-4-9-15)20(17)16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyLGRUCHCYEMOENE-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.77
Rot. Bonds3

About 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole

2-benzyl-3-phenyl-7-(trifluoromethyl)indazole (PubChem CID 25137977) has the molecular formula C21H15F3N2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-benzyl-3-phenyl-7-(trifluoromethyl)indazole
PubChem CID25137977
Molecular FormulaC21H15F3N2
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name2-benzyl-3-phenyl-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3ccccc3)n(Cc3ccccc3)nc12
InChIInChI=1S/C21H15F3N2/c22-21(23,24)18-13-7-12-17-19(18)25-26(14-15-8-3-1-4-9-15)20(17)16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyLGRUCHCYEMOENE-UHFFFAOYSA-N
XLogP5.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole?
The IUPAC name of 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole (CID 25137977) is 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole is FC(F)(F)c1cccc2c(-c3ccccc3)n(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole?
The InChIKey is LGRUCHCYEMOENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2/c22-21(23,24)18-13-7-12-17-19(18)25-26(14-15-8-3-1-4-9-15)20(17)16-10-5-2-6-11-16/h1-13H,14H2.
What are the key properties of 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole?
2-benzyl-3-phenyl-7-(trifluoromethyl)indazole has a molecular weight of 352.36 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole is sourced from PubChem (CID 25137977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).