3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole

C22H15F3N2 — CID 44582009

IUPAC3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1cccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C22H15F3N2/c23-22(24,25)18-12-7-13-19(14-18)27-21(17-10-5-2-6-11-17)15-20(26-27)16-8-3-1-4-9-16/h1-15H
InChIKeyAUYTYBXOQNJIFH-UHFFFAOYSA-N
MW364.37 g/mol
LogP6.23
Rot. Bonds3

About 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole

3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole (PubChem CID 44582009) has the molecular formula C22H15F3N2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
PubChem CID44582009
Molecular FormulaC22H15F3N2
Molecular Weight364.37 g/mol
Exact Mass364.12
IUPAC Name3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1cccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C22H15F3N2/c23-22(24,25)18-12-7-13-19(14-18)27-21(17-10-5-2-6-11-17)15-20(26-27)16-8-3-1-4-9-16/h1-15H
InChIKeyAUYTYBXOQNJIFH-UHFFFAOYSA-N
XLogP6.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat
CID 39425
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 57401854
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3,5-Triphenylpyrazole
CID 626614
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
1,3-Diphenyl-1H-pyrazole-5-carbonitrile
CID 542822
1,5-Bis-(4-chloro-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10021211
1,3-Diphenyl-4,5,6,7-tetrahydro-1H-indazole
CID 15453871
1,3-Diphenyl-1,4,5,6,7,8-hexahydro-cycloheptapyrazole
CID 15453872
4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile
CID 57391350

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole (CID 44582009) is 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1cccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is AUYTYBXOQNJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2/c23-22(24,25)18-12-7-13-19(14-18)27-21(17-10-5-2-6-11-17)15-20(26-27)16-8-3-1-4-9-16/h1-15H.
What are the key properties of 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole?
3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 364.37 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1-[3-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 44582009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).