2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C9H9N3O3 — CID 83670346

IUPAC2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1[nH]n2c(=O)c(C(=O)O)cnc2c1C
InChIInChI=1S/C9H9N3O3/c1-4-5(2)11-12-7(4)10-3-6(8(12)13)9(14)15/h3,11H,1-2H3,(H,14,15)
InChIKeyXRQJPODYIZATRX-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.34
Rot. Bonds1

About 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 83670346) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID83670346
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1[nH]n2c(=O)c(C(=O)O)cnc2c1C
InChIInChI=1S/C9H9N3O3/c1-4-5(2)11-12-7(4)10-3-6(8(12)13)9(14)15/h3,11H,1-2H3,(H,14,15)
InChIKeyXRQJPODYIZATRX-UHFFFAOYSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 83670346) is 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1[nH]n2c(=O)c(C(=O)O)cnc2c1C.
What is the InChIKey of 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is XRQJPODYIZATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-4-5(2)11-12-7(4)10-3-6(8(12)13)9(14)15/h3,11H,1-2H3,(H,14,15).
What are the key properties of 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 83670346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).