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

C21H15F3N2 — CID 25217784

IUPAC2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1ccc(Cc2c3ccccc3nn2-c2ccccc2)cc1
InChIInChI=1S/C21H15F3N2/c22-21(23,24)16-12-10-15(11-13-16)14-20-18-8-4-5-9-19(18)25-26(20)17-6-2-1-3-7-17/h1-13H,14H2
InChIKeyKEWFDPAZUODCMS-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.64
Rot. Bonds3

About 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole

2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole (PubChem CID 25217784) has the molecular formula C21H15F3N2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole.

Molecular Properties

Compound Name2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole
PubChem CID25217784
Molecular FormulaC21H15F3N2
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1ccc(Cc2c3ccccc3nn2-c2ccccc2)cc1
InChIInChI=1S/C21H15F3N2/c22-21(23,24)16-12-10-15(11-13-16)14-20-18-8-4-5-9-19(18)25-26(20)17-6-2-1-3-7-17/h1-13H,14H2
InChIKeyKEWFDPAZUODCMS-UHFFFAOYSA-N
XLogP5.64
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 ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The IUPAC name of 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole (CID 25217784) is 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole.
What is the SMILES notation for 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The canonical SMILES for 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole is FC(F)(F)c1ccc(Cc2c3ccccc3nn2-c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The InChIKey is KEWFDPAZUODCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2/c22-21(23,24)16-12-10-15(11-13-16)14-20-18-8-4-5-9-19(18)25-26(20)17-6-2-1-3-7-17/h1-13H,14H2.
What are the key properties of 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole?
2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole has a molecular weight of 352.36 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]indazole is sourced from PubChem (CID 25217784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).