1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone

C12H12F2N2OS — CID 143533982

IUPAC1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(C)(F)F)n(C)n2)s1
InChIInChI=1S/C12H12F2N2OS/c1-7(17)9-4-5-10(18-9)8-6-11(12(2,13)14)16(3)15-8/h4-6H,1-3H3
InChIKeyGDYJMNYEEGOIFA-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.46
Rot. Bonds3

About 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone

1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone (PubChem CID 143533982) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone
PubChem CID143533982
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(C)(F)F)n(C)n2)s1
InChIInChI=1S/C12H12F2N2OS/c1-7(17)9-4-5-10(18-9)8-6-11(12(2,13)14)16(3)15-8/h4-6H,1-3H3
InChIKeyGDYJMNYEEGOIFA-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone (CID 143533982) is 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cc(C(C)(F)F)n(C)n2)s1.
What is the InChIKey of 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone?
The InChIKey is GDYJMNYEEGOIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-7(17)9-4-5-10(18-9)8-6-11(12(2,13)14)16(3)15-8/h4-6H,1-3H3.
What are the key properties of 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone?
1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone has a molecular weight of 270.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 143533982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).