3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole

C21H15F3N2 — CID 118326025

IUPAC3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1ccc(Cn2nc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C21H15F3N2/c22-21(23,24)17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(25-26)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyJQECSTNGZKIEFH-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.77
Rot. Bonds3

About 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole

3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole (PubChem CID 118326025) has the molecular formula C21H15F3N2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole.

Molecular Properties

Compound Name3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole
PubChem CID118326025
Molecular FormulaC21H15F3N2
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1ccc(Cn2nc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C21H15F3N2/c22-21(23,24)17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(25-26)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyJQECSTNGZKIEFH-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

Analyze 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The IUPAC name of 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole (CID 118326025) is 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole.
What is the SMILES notation for 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The canonical SMILES for 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole is FC(F)(F)c1ccc(Cn2nc(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The InChIKey is JQECSTNGZKIEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2/c22-21(23,24)17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(25-26)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole?
3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]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 3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole is sourced from PubChem (CID 118326025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).