1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone

C11H9F3N2OS — CID 621250

IUPAC1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C11H9F3N2OS/c1-6(17)8-3-4-9(18-8)7-5-10(11(12,13)14)16(2)15-7/h3-5H,1-2H3
InChIKeyUCMBDXGEXMWTHD-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.37
Rot. Bonds2

About 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone

1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone (PubChem CID 621250) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone
PubChem CID621250
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C11H9F3N2OS/c1-6(17)8-3-4-9(18-8)7-5-10(11(12,13)14)16(2)15-7/h3-5H,1-2H3
InChIKeyUCMBDXGEXMWTHD-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone (CID 621250) is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone?
The InChIKey is UCMBDXGEXMWTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-6(17)8-3-4-9(18-8)7-5-10(11(12,13)14)16(2)15-7/h3-5H,1-2H3.
What are the key properties of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone?
1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone has a molecular weight of 274.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 621250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).