1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone

C9H6F3N3O — CID 84726115

IUPAC1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone
SMILESCC(=O)c1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C9H6F3N3O/c1-5(16)6-4-8-13-3-2-7(9(10,11)12)15(8)14-6/h2-4H,1H3
InChIKeyMFHBVRVLLKDTEG-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.95
Rot. Bonds1

About 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone

1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone (PubChem CID 84726115) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone
PubChem CID84726115
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone
SMILESCC(=O)c1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C9H6F3N3O/c1-5(16)6-4-8-13-3-2-7(9(10,11)12)15(8)14-6/h2-4H,1H3
InChIKeyMFHBVRVLLKDTEG-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

1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 639252
US9932325, Example 135
CID 132244708
(E)-3-(dimethylamino)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)prop-2-en-1-one
CID 5715483
1-(2-Cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 2819451
1-(7-Methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 641897
N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 69040087
1-(2-(Trifluoromethyl)pyrimidin-4-yl)ethanone
CID 69232791
7-Acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 88572780
1-[6-[(4,4-Difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]ethanone
CID 132207460
1-[1-[4-[(4,4-Difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone
CID 132207486
1-(3-Fluoro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)propan-1-one
CID 138663408
1-[6-[(4,4-Difluorocyclohexyl)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]ethanone
CID 139300482

Frequently Asked Questions

What is the IUPAC name of 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone?
The IUPAC name of 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone (CID 84726115) is 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone is CC(=O)c1cc2nccc(C(F)(F)F)n2n1.
What is the InChIKey of 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone?
The InChIKey is MFHBVRVLLKDTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-5(16)6-4-8-13-3-2-7(9(10,11)12)15(8)14-6/h2-4H,1H3.
What are the key properties of 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone?
1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone is sourced from PubChem (CID 84726115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).