2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

C11H10F3N3O — CID 58621146

IUPAC2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCCc1cccc(-n2[nH]c(C(F)(F)F)cc2=O)n1
InChIInChI=1S/C11H10F3N3O/c1-2-7-4-3-5-9(15-7)17-10(18)6-8(16-17)11(12,13)14/h3-6,16H,2H2,1H3
InChIKeyYGZQPMXPTUXNBP-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.14
Rot. Bonds2

About 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 58621146) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID58621146
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCCc1cccc(-n2[nH]c(C(F)(F)F)cc2=O)n1
InChIInChI=1S/C11H10F3N3O/c1-2-7-4-3-5-9(15-7)17-10(18)6-8(16-17)11(12,13)14/h3-6,16H,2H2,1H3
InChIKeyYGZQPMXPTUXNBP-UHFFFAOYSA-N
XLogP2.14
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
CID 58621230
2-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 18922574
5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 131871216
2-[4-(dimethylamino)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66718608
2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 90988692
2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021530
2-pyridin-2-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 178069330
2-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 10083077
5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 161185318
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776
2-(2,2-dimethylhexan-3-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 152506616

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 58621146) is 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is CCc1cccc(-n2[nH]c(C(F)(F)F)cc2=O)n1.
What is the InChIKey of 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is YGZQPMXPTUXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-2-7-4-3-5-9(15-7)17-10(18)6-8(16-17)11(12,13)14/h3-6,16H,2H2,1H3.
What are the key properties of 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 257.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 58621146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).