2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C10H9F3N4O — CID 84805966

IUPAC2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCNCC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H9F3N4O/c1-14-4-7(18)6-3-15-9-2-8(10(11,12)13)16-17(9)5-6/h2-3,5,14H,4H2,1H3
InChIKeyTZBPDGNWFXGEIZ-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.15
Rot. Bonds3

About 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 84805966) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID84805966
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCNCC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H9F3N4O/c1-14-4-7(18)6-3-15-9-2-8(10(11,12)13)16-17(9)5-6/h2-3,5,14H,4H2,1H3
InChIKeyTZBPDGNWFXGEIZ-UHFFFAOYSA-N
XLogP1.15
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 639252
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
N-isobutyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821351
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1478930
2-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 45792526
N-[(E)-(dimethylamino)methylidene]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4322478
2-Methyl-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 25581325
N-methyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821149
5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3113009
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone
CID 90672684

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 84805966) is 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CNCC(=O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is TZBPDGNWFXGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-14-4-7(18)6-3-15-9-2-8(10(11,12)13)16-17(9)5-6/h2-3,5,14H,4H2,1H3.
What are the key properties of 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 258.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 84805966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).