2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

C11H6F3N3OS — CID 137302521

IUPAC2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C(F)(F)F)n2nc(-c3cccs3)cc2[nH]1
InChIInChI=1S/C11H6F3N3OS/c12-11(13,14)8-5-10(18)15-9-4-6(16-17(8)9)7-2-1-3-19-7/h1-5H,(H,15,18)
InChIKeyVQEZWEKCIMQGKV-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.77
Rot. Bonds1

About 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137302521) has the molecular formula C11H6F3N3OS and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137302521
Molecular FormulaC11H6F3N3OS
Molecular Weight285.25 g/mol
Exact Mass285.02
IUPAC Name2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C(F)(F)F)n2nc(-c3cccs3)cc2[nH]1
InChIInChI=1S/C11H6F3N3OS/c12-11(13,14)8-5-10(18)15-9-4-6(16-17(8)9)7-2-1-3-19-7/h1-5H,(H,15,18)
InChIKeyVQEZWEKCIMQGKV-UHFFFAOYSA-N
XLogP2.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137302521) is 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C(F)(F)F)n2nc(-c3cccs3)cc2[nH]1.
What is the InChIKey of 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VQEZWEKCIMQGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3OS/c12-11(13,14)8-5-10(18)15-9-4-6(16-17(8)9)7-2-1-3-19-7/h1-5H,(H,15,18).
What are the key properties of 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 285.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137302521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).