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

C12H14F3N3S — CID 55088562

IUPAC1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
SMILESCC(NCCn1ccc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H14F3N3S/c1-9(10-3-2-8-19-10)16-5-7-18-6-4-11(17-18)12(13,14)15/h2-4,6,8-9,16H,5,7H2,1H3
InChIKeyWIJWLRVOBQHIGP-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.31
Rot. Bonds5

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

1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine (PubChem CID 55088562) has the molecular formula C12H14F3N3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
PubChem CID55088562
Molecular FormulaC12H14F3N3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
SMILESCC(NCCn1ccc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H14F3N3S/c1-9(10-3-2-8-19-10)16-5-7-18-6-4-11(17-18)12(13,14)15/h2-4,6,8-9,16H,5,7H2,1H3
InChIKeyWIJWLRVOBQHIGP-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The IUPAC name of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine (CID 55088562) is 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine is CC(NCCn1ccc(C(F)(F)F)n1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The InChIKey is WIJWLRVOBQHIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S/c1-9(10-3-2-8-19-10)16-5-7-18-6-4-11(17-18)12(13,14)15/h2-4,6,8-9,16H,5,7H2,1H3.
What are the key properties of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine has a molecular weight of 289.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine is sourced from PubChem (CID 55088562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).