2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

C16H11F3N2O — CID 131871216

IUPAC2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-10-15(22)21(20-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H
InChIKeyCIBCJJCNYIYEMZ-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 131871216) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID131871216
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)(F)F)[nH]n1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-10-15(22)21(20-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H
InChIKeyCIBCJJCNYIYEMZ-UHFFFAOYSA-N
XLogP3.85
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 90988692
2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
CID 91989506
2-[4-(dimethylamino)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66718608
2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 58621146
5-fluoro-2-phenyl-1H-pyrazol-3-one
CID 155895443
2-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 10083077
5-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-phenyl-1H-pyrazol-3-one
CID 57221591
5-bromo-2-[3-(trifluoromethyl)phenyl]-1H-pyridazine-3,6-dione
CID 20513822
5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 66022293
5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 18922574
2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021530

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 131871216) is 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is O=c1cc(C(F)(F)F)[nH]n1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is CIBCJJCNYIYEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)14-10-15(22)21(20-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H.
What are the key properties of 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 304.27 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 131871216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).