3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole

C20H17F3N2 — CID 16739355

IUPAC3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)c1ccc(-n2nc3c(c2-c2ccccc2)CCCC3)cc1
InChIInChI=1S/C20H17F3N2/c21-20(22,23)15-10-12-16(13-11-15)25-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)24-25/h1-3,6-7,10-13H,4-5,8-9H2
InChIKeyRIYFFLBENPDDNH-UHFFFAOYSA-N
MW342.36 g/mol
LogP5.44
Rot. Bonds2

About 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole

3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole (PubChem CID 16739355) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole
PubChem CID16739355
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)c1ccc(-n2nc3c(c2-c2ccccc2)CCCC3)cc1
InChIInChI=1S/C20H17F3N2/c21-20(22,23)15-10-12-16(13-11-15)25-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)24-25/h1-3,6-7,10-13H,4-5,8-9H2
InChIKeyRIYFFLBENPDDNH-UHFFFAOYSA-N
XLogP5.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole (CID 16739355) is 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole is FC(F)(F)c1ccc(-n2nc3c(c2-c2ccccc2)CCCC3)cc1.
What is the InChIKey of 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is RIYFFLBENPDDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2/c21-20(22,23)15-10-12-16(13-11-15)25-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)24-25/h1-3,6-7,10-13H,4-5,8-9H2.
What are the key properties of 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole?
3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 342.36 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 16739355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).