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

C10H11N3O3 — CID 82269784

IUPAC2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1cc2nc(C)c(CC(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C10H11N3O3/c1-5-3-8-11-6(2)7(4-9(14)15)10(16)13(8)12-5/h3,12H,4H2,1-2H3,(H,14,15)
InChIKeyBSLOZQMHFDOGQA-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.27
Rot. Bonds2

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

2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 82269784) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID82269784
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1cc2nc(C)c(CC(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C10H11N3O3/c1-5-3-8-11-6(2)7(4-9(14)15)10(16)13(8)12-5/h3,12H,4H2,1-2H3,(H,14,15)
InChIKeyBSLOZQMHFDOGQA-UHFFFAOYSA-N
XLogP0.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 82269784) is 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is Cc1cc2nc(C)c(CC(=O)O)c(=O)n2[nH]1.
What is the InChIKey of 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is BSLOZQMHFDOGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5-3-8-11-6(2)7(4-9(14)15)10(16)13(8)12-5/h3,12H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 221.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 82269784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).