2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

C11H13N3O3 — CID 83896452

IUPAC2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCC(C)c1cc2ncc(CC(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C11H13N3O3/c1-6(2)8-4-9-12-5-7(3-10(15)16)11(17)14(9)13-8/h4-6,13H,3H2,1-2H3,(H,15,16)
InChIKeyOQNFVVIRIIIAJY-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.77
Rot. Bonds3

About 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 83896452) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID83896452
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCC(C)c1cc2ncc(CC(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C11H13N3O3/c1-6(2)8-4-9-12-5-7(3-10(15)16)11(17)14(9)13-8/h4-6,13H,3H2,1-2H3,(H,15,16)
InChIKeyOQNFVVIRIIIAJY-UHFFFAOYSA-N
XLogP0.77
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 83896452) is 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is CC(C)c1cc2ncc(CC(=O)O)c(=O)n2[nH]1.
What is the InChIKey of 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is OQNFVVIRIIIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6(2)8-4-9-12-5-7(3-10(15)16)11(17)14(9)13-8/h4-6,13H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83896452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).