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

C14H24F3N3S — CID 116618001

IUPAC1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1nn(CCSC(F)(F)F)c(CC)c1C(CC)NC
InChIInChI=1S/C14H24F3N3S/c1-5-10(18-4)13-11(6-2)19-20(12(13)7-3)8-9-21-14(15,16)17/h10,18H,5-9H2,1-4H3
InChIKeyQVKQPBWKCLCLHK-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.93
Rot. Bonds8

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

1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 116618001) has the molecular formula C14H24F3N3S and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID116618001
Molecular FormulaC14H24F3N3S
Molecular Weight323.43 g/mol
Exact Mass323.16
IUPAC Name1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1nn(CCSC(F)(F)F)c(CC)c1C(CC)NC
InChIInChI=1S/C14H24F3N3S/c1-5-10(18-4)13-11(6-2)19-20(12(13)7-3)8-9-21-14(15,16)17/h10,18H,5-9H2,1-4H3
InChIKeyQVKQPBWKCLCLHK-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697642
4-(1-chloroethyl)-3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazole
CID 116618017
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 116618002
1-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 82696841
2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
CID 116618024
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
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 82700574
1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103139446
1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697043
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 82698034

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine (CID 116618001) is 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine is CCc1nn(CCSC(F)(F)F)c(CC)c1C(CC)NC.
What is the InChIKey of 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is QVKQPBWKCLCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3S/c1-5-10(18-4)13-11(6-2)19-20(12(13)7-3)8-9-21-14(15,16)17/h10,18H,5-9H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine?
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 323.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 116618001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).