3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one

C10H9F3N4O — CID 84805967

IUPAC3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
SMILESNCCC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)8-3-9-15-4-6(5-17(9)16-8)7(18)1-2-14/h3-5H,1-2,14H2
InChIKeyYSMPYQAKKXETQL-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.28
Rot. Bonds3

About 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one

3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one (PubChem CID 84805967) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
PubChem CID84805967
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
SMILESNCCC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)8-3-9-15-4-6(5-17(9)16-8)7(18)1-2-14/h3-5H,1-2,14H2
InChIKeyYSMPYQAKKXETQL-UHFFFAOYSA-N
XLogP1.28
TPSA73.28 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 ≤ 51.28
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-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1478930
N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769220
N-[(E)-(dimethylamino)methylidene]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4322478
N-methyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821149
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone
CID 90672684
N-(2,2-difluoroethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134795310
1-(2-Cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 2819451
N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90374502

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one (CID 84805967) is 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one is NCCC(=O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The InChIKey is YSMPYQAKKXETQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c11-10(12,13)8-3-9-15-4-6(5-17(9)16-8)7(18)1-2-14/h3-5H,1-2,14H2.
What are the key properties of 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one has a molecular weight of 258.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 84805967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).