5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid

C11H9F3N2O2S — CID 22288386

IUPAC5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C11H9F3N2O2S/c1-2-16-6(5-9(15-16)11(12,13)14)7-3-4-8(19-7)10(17)18/h3-5H,2H2,1H3,(H,17,18)
InChIKeyISHKXEOQXJGLCK-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.35
Rot. Bonds3

About 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid

5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid (PubChem CID 22288386) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid
PubChem CID22288386
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Name5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C11H9F3N2O2S/c1-2-16-6(5-9(15-16)11(12,13)14)7-3-4-8(19-7)10(17)18/h3-5H,2H2,1H3,(H,17,18)
InChIKeyISHKXEOQXJGLCK-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid (CID 22288386) is 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid is CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid?
The InChIKey is ISHKXEOQXJGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c1-2-16-6(5-9(15-16)11(12,13)14)7-3-4-8(19-7)10(17)18/h3-5H,2H2,1H3,(H,17,18).
What are the key properties of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid?
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 22288386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).