5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole

C22H15F3N2 — CID 46861789

IUPAC5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C22H15F3N2/c23-22(24,25)17-12-10-16(11-13-17)20-14-21(27-26-20)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H,(H,26,27)
InChIKeyFAXNWHVSJJAJRI-UHFFFAOYSA-N
MW364.37 g/mol
LogP6.43
Rot. Bonds3

About 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole

5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 46861789) has the molecular formula C22H15F3N2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID46861789
Molecular FormulaC22H15F3N2
Molecular Weight364.37 g/mol
Exact Mass364.12
IUPAC Name5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C22H15F3N2/c23-22(24,25)17-12-10-16(11-13-17)20-14-21(27-26-20)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H,(H,26,27)
InChIKeyFAXNWHVSJJAJRI-UHFFFAOYSA-N
XLogP6.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (CID 46861789) is 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is FC(F)(F)c1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is FAXNWHVSJJAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2/c23-22(24,25)17-12-10-16(11-13-17)20-14-21(27-26-20)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H,(H,26,27).
What are the key properties of 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 364.37 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 46861789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).