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

C9H9N3O3 — CID 83883071

IUPAC2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1cc2ncc(CC(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C9H9N3O3/c1-5-2-7-10-4-6(3-8(13)14)9(15)12(7)11-5/h2,4,11H,3H2,1H3,(H,13,14)
InChIKeySEKKESKOEIZFEC-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.04
Rot. Bonds2

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

2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 83883071) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID83883071
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1cc2ncc(CC(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C9H9N3O3/c1-5-2-7-10-4-6(3-8(13)14)9(15)12(7)11-5/h2,4,11H,3H2,1H3,(H,13,14)
InChIKeySEKKESKOEIZFEC-UHFFFAOYSA-N
XLogP-0.04
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 83883071) is 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is Cc1cc2ncc(CC(=O)O)c(=O)n2[nH]1.
What is the InChIKey of 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is SEKKESKOEIZFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-2-7-10-4-6(3-8(13)14)9(15)12(7)11-5/h2,4,11H,3H2,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83883071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).