2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine

C12H20F3N3S — CID 116618024

IUPAC2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCSC(F)(F)F)c(CC)c1CCN
InChIInChI=1S/C12H20F3N3S/c1-3-10-9(5-6-16)11(4-2)18(17-10)7-8-19-12(13,14)15/h3-8,16H2,1-2H3
InChIKeyLQHNFGKRFIFJJR-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.76
Rot. Bonds7

About 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine

2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine (PubChem CID 116618024) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
PubChem CID116618024
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC Name2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCSC(F)(F)F)c(CC)c1CCN
InChIInChI=1S/C12H20F3N3S/c1-3-10-9(5-6-16)11(4-2)18(17-10)7-8-19-12(13,14)15/h3-8,16H2,1-2H3
InChIKeyLQHNFGKRFIFJJR-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 82700513
N-[[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 116617995
N-[[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]methyl]propan-1-amine
CID 116617998
4-(1-chloroethyl)-3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole
CID 116618017
2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 79224877
2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 82699797
2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
CID 82698599
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 116618002
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 116618001
2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412911
2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 82699197
2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
CID 82699798

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine (CID 116618024) is 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine is CCc1nn(CCSC(F)(F)F)c(CC)c1CCN.
What is the InChIKey of 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine?
The InChIKey is LQHNFGKRFIFJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-3-10-9(5-6-16)11(4-2)18(17-10)7-8-19-12(13,14)15/h3-8,16H2,1-2H3.
What are the key properties of 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine?
2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine has a molecular weight of 295.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 116618024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).