2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C8H8N4O5S — CID 122523732

IUPAC2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCS(=O)(=O)n1cc(C(=O)O)c(=O)n2nc(N)cc12
InChIInChI=1S/C8H8N4O5S/c1-18(16,17)11-3-4(8(14)15)7(13)12-6(11)2-5(9)10-12/h2-3H,1H3,(H2,9,10)(H,14,15)
InChIKeyKKPAAKNLLCXGSG-UHFFFAOYSA-N
MW272.24 g/mol
LogP-1.42
Rot. Bonds2

About 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 122523732) has the molecular formula C8H8N4O5S and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID122523732
Molecular FormulaC8H8N4O5S
Molecular Weight272.24 g/mol
Exact Mass272.02
IUPAC Name2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCS(=O)(=O)n1cc(C(=O)O)c(=O)n2nc(N)cc12
InChIInChI=1S/C8H8N4O5S/c1-18(16,17)11-3-4(8(14)15)7(13)12-6(11)2-5(9)10-12/h2-3H,1H3,(H2,9,10)(H,14,15)
InChIKeyKKPAAKNLLCXGSG-UHFFFAOYSA-N
XLogP-1.42
TPSA136.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 122523732) is 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CS(=O)(=O)n1cc(C(=O)O)c(=O)n2nc(N)cc12.
What is the InChIKey of 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is KKPAAKNLLCXGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O5S/c1-18(16,17)11-3-4(8(14)15)7(13)12-6(11)2-5(9)10-12/h2-3H,1H3,(H2,9,10)(H,14,15).
What are the key properties of 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 122523732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).