N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine

C10H16F3N3S — CID 116617982

IUPACN-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(CCSC(F)(F)F)c1
InChIInChI=1S/C10H16F3N3S/c1-3-14-8(2)9-6-15-16(7-9)4-5-17-10(11,12)13/h6-8,14H,3-5H2,1-2H3
InChIKeyYYFOWIQFJTZRTH-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.81
Rot. Bonds6

About N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine

N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine (PubChem CID 116617982) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
PubChem CID116617982
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(CCSC(F)(F)F)c1
InChIInChI=1S/C10H16F3N3S/c1-3-14-8(2)9-6-15-16(7-9)4-5-17-10(11,12)13/h6-8,14H,3-5H2,1-2H3
InChIKeyYYFOWIQFJTZRTH-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine (CID 116617982) is N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine is CCNC(C)c1cnn(CCSC(F)(F)F)c1.
What is the InChIKey of N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine?
The InChIKey is YYFOWIQFJTZRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-3-14-8(2)9-6-15-16(7-9)4-5-17-10(11,12)13/h6-8,14H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine?
N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine has a molecular weight of 267.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 116617982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).