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

C8H6FN3O — CID 91317085

IUPAC1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnn2cc(F)cnc12
InChIInChI=1S/C8H6FN3O/c1-5(13)7-3-11-12-4-6(9)2-10-8(7)12/h2-4H,1H3
InChIKeyASYUGSQQWGAUIF-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.07
Rot. Bonds1

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

1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone (PubChem CID 91317085) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
PubChem CID91317085
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnn2cc(F)cnc12
InChIInChI=1S/C8H6FN3O/c1-5(13)7-3-11-12-4-6(9)2-10-8(7)12/h2-4H,1H3
InChIKeyASYUGSQQWGAUIF-UHFFFAOYSA-N
XLogP1.07
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-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

Pyrazolo(1,5-a)pyrimidine-3-carboxaldehyde, 6-methyl-
CID 83815717
3-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621789
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042089
6-[(Diethylamino)methyl]-N,N-diethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56702378
6-Fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 59152070
Methyl 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 68025965
6-Fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90205392
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
2-amino-6-fluoro-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123411545
3-Methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 141038892
2-Amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142772738

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone (CID 91317085) is 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone is CC(=O)c1cnn2cc(F)cnc12.
What is the InChIKey of 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The InChIKey is ASYUGSQQWGAUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c1-5(13)7-3-11-12-4-6(9)2-10-8(7)12/h2-4H,1H3.
What are the key properties of 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone has a molecular weight of 179.15 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 91317085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).