2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine

C12H14F3N3S — CID 55088469

IUPAC2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
SMILESFC(F)(F)c1ccn(CCNCCc2ccsc2)n1
InChIInChI=1S/C12H14F3N3S/c13-12(14,15)11-2-6-18(17-11)7-5-16-4-1-10-3-8-19-9-10/h2-3,6,8-9,16H,1,4-5,7H2
InChIKeyHIRPDINNTHTZMV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.80
Rot. Bonds6

About 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine

2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine (PubChem CID 55088469) has the molecular formula C12H14F3N3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
PubChem CID55088469
Molecular FormulaC12H14F3N3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
SMILESFC(F)(F)c1ccn(CCNCCc2ccsc2)n1
InChIInChI=1S/C12H14F3N3S/c13-12(14,15)11-2-6-18(17-11)7-5-16-4-1-10-3-8-19-9-10/h2-3,6,8-9,16H,1,4-5,7H2
InChIKeyHIRPDINNTHTZMV-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The IUPAC name of 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine (CID 55088469) is 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine.
What is the SMILES notation for 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The canonical SMILES for 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine is FC(F)(F)c1ccn(CCNCCc2ccsc2)n1.
What is the InChIKey of 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The InChIKey is HIRPDINNTHTZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S/c13-12(14,15)11-2-6-18(17-11)7-5-16-4-1-10-3-8-19-9-10/h2-3,6,8-9,16H,1,4-5,7H2.
What are the key properties of 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine has a molecular weight of 289.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine is sourced from PubChem (CID 55088469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).