1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C9H6F3N3O — CID 84726113

IUPAC1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H6F3N3O/c1-5(16)7-3-14-15-4-6(9(10,11)12)2-13-8(7)15/h2-4H,1H3
InChIKeyLRYIUCXGCUSQJW-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.95
Rot. Bonds1

About 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 84726113) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID84726113
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H6F3N3O/c1-5(16)7-3-14-15-4-6(9(10,11)12)2-13-8(7)15/h2-4H,1H3
InChIKeyLRYIUCXGCUSQJW-UHFFFAOYSA-N
XLogP1.95
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carboxaldehyde, 6-methyl-
CID 83815717
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone
CID 90672684
3-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621789
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042089
6-[(Diethylamino)methyl]-N-(2,2-difluoroethyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56703959
N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20635702
2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 67412555
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 84726353
6-Fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90205392
1-(6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 91317085
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
CID 117816815
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 118137331

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 84726113) is 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CC(=O)c1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is LRYIUCXGCUSQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-5(16)7-3-14-15-4-6(9(10,11)12)2-13-8(7)15/h2-4H,1H3.
What are the key properties of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 229.16 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 84726113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).