1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone

C8H7FN4O — CID 118137331

IUPAC1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C8H7FN4O/c1-4(14)6-7(10)12-13-3-5(9)2-11-8(6)13/h2-3H,1H3,(H2,10,12)
InChIKeyMGZDCWHCHGEZIA-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.65
Rot. Bonds1

About 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone

1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone (PubChem CID 118137331) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
PubChem CID118137331
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C8H7FN4O/c1-4(14)6-7(10)12-13-3-5(9)2-11-8(6)13/h2-3H,1H3,(H2,10,12)
InChIKeyMGZDCWHCHGEZIA-UHFFFAOYSA-N
XLogP0.65
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone (CID 118137331) is 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone is CC(=O)c1c(N)nn2cc(F)cnc12.
What is the InChIKey of 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The InChIKey is MGZDCWHCHGEZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c1-4(14)6-7(10)12-13-3-5(9)2-11-8(6)13/h2-3H,1H3,(H2,10,12).
What are the key properties of 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone has a molecular weight of 194.17 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 118137331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).