2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C9H9N3O3 — CID 112756875

IUPAC2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1cc2ncc(C(=O)O)c(C)n2n1
InChIInChI=1S/C9H9N3O3/c1-5-6(9(13)14)4-10-7-3-8(15-2)11-12(5)7/h3-4H,1-2H3,(H,13,14)
InChIKeySEIOSTITLUEYDO-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.74
Rot. Bonds2

About 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 112756875) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID112756875
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1cc2ncc(C(=O)O)c(C)n2n1
InChIInChI=1S/C9H9N3O3/c1-5-6(9(13)14)4-10-7-3-8(15-2)11-12(5)7/h3-4H,1-2H3,(H,13,14)
InChIKeySEIOSTITLUEYDO-UHFFFAOYSA-N
XLogP0.74
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 112756875) is 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is COc1cc2ncc(C(=O)O)c(C)n2n1.
What is the InChIKey of 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is SEIOSTITLUEYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-6(9(13)14)4-10-7-3-8(15-2)11-12(5)7/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 112756875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).