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

C9H7F3N4O — CID 84802569

IUPAC2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESNCC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)7-1-8-14-3-5(6(17)2-13)4-16(8)15-7/h1,3-4H,2,13H2
InChIKeyQYJUDOLTRQSYSN-UHFFFAOYSA-N
MW244.18 g/mol
LogP0.89
Rot. Bonds2

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

2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 84802569) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID84802569
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESNCC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)7-1-8-14-3-5(6(17)2-13)4-16(8)15-7/h1,3-4H,2,13H2
InChIKeyQYJUDOLTRQSYSN-UHFFFAOYSA-N
XLogP0.89
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-Methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 53629150
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 84802569) is 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is NCC(=O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is QYJUDOLTRQSYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)7-1-8-14-3-5(6(17)2-13)4-16(8)15-7/h1,3-4H,2,13H2.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 244.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 84802569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).