5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C9H9N3O4 — CID 91284633

IUPAC5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1cc(OC)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C9H9N3O4/c1-15-6-3-7(16-2)12-8(11-6)5(4-10-12)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyOOWVONBRFWZVIH-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.44
Rot. Bonds3

About 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 91284633) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID91284633
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1cc(OC)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C9H9N3O4/c1-15-6-3-7(16-2)12-8(11-6)5(4-10-12)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyOOWVONBRFWZVIH-UHFFFAOYSA-N
XLogP0.44
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 91284633) is 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1cc(OC)n2ncc(C(=O)O)c2n1.
What is the InChIKey of 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is OOWVONBRFWZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-15-6-3-7(16-2)12-8(11-6)5(4-10-12)9(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 223.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 91284633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).