2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone

C11H15F3N2O — CID 82697995

IUPAC2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone
SMILESCCc1nn(CC)c(CC)c1C(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-4-7-9(10(17)11(12,13)14)8(5-2)16(6-3)15-7/h4-6H2,1-3H3
InChIKeyHZSLBLMCNPDEIT-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.77
Rot. Bonds4

About 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone

2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone (PubChem CID 82697995) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone
PubChem CID82697995
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone
SMILESCCc1nn(CC)c(CC)c1C(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-4-7-9(10(17)11(12,13)14)8(5-2)16(6-3)15-7/h4-6H2,1-3H3
InChIKeyHZSLBLMCNPDEIT-UHFFFAOYSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 82699740
1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 82699587
1-(1-benzyl-3,5-diethylpyrazol-4-yl)ethanone
CID 82697978
1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone
CID 82697422
1-(1,3,5-triethylpyrazol-4-yl)ethyl acetate
CID 174603254
1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 82699599
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one
CID 82697993
1-[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanone
CID 115984290
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562558
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797179
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
CID 79197154

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone (CID 82697995) is 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone is CCc1nn(CC)c(CC)c1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone?
The InChIKey is HZSLBLMCNPDEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-4-7-9(10(17)11(12,13)14)8(5-2)16(6-3)15-7/h4-6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone?
2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone has a molecular weight of 248.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 82697995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).