6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C8H7N3O4S — CID 146100718

IUPAC6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCS(=O)(=O)c1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C8H7N3O4S/c1-16(14,15)5-2-9-7-6(8(12)13)3-10-11(7)4-5/h2-4H,1H3,(H,12,13)
InChIKeyGMQJJQZTGLGZBY-UHFFFAOYSA-N
MW241.23 g/mol
LogP-0.17
Rot. Bonds2

About 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 146100718) has the molecular formula C8H7N3O4S and a molecular weight of 241.23 g/mol. Its IUPAC name is 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID146100718
Molecular FormulaC8H7N3O4S
Molecular Weight241.23 g/mol
Exact Mass241.02
IUPAC Name6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCS(=O)(=O)c1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C8H7N3O4S/c1-16(14,15)5-2-9-7-6(8(12)13)3-10-11(7)4-5/h2-4H,1H3,(H,12,13)
InChIKeyGMQJJQZTGLGZBY-UHFFFAOYSA-N
XLogP-0.17
TPSA101.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 146100718) is 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CS(=O)(=O)c1cnc2c(C(=O)O)cnn2c1.
What is the InChIKey of 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GMQJJQZTGLGZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S/c1-16(14,15)5-2-9-7-6(8(12)13)3-10-11(7)4-5/h2-4H,1H3,(H,12,13).
What are the key properties of 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 241.23 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146100718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).