5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

C8H10N4O2S — CID 14422514

IUPAC5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCc1cc(C)n2ncc(S(N)(=O)=O)c2n1
InChIInChI=1S/C8H10N4O2S/c1-5-3-6(2)12-8(11-5)7(4-10-12)15(9,13)14/h3-4H,1-2H3,(H2,9,13,14)
InChIKeyQOTMAIJKWDDBJN-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.01
Rot. Bonds1

About 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 14422514) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID14422514
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCc1cc(C)n2ncc(S(N)(=O)=O)c2n1
InChIInChI=1S/C8H10N4O2S/c1-5-3-6(2)12-8(11-5)7(4-10-12)15(9,13)14/h3-4H,1-2H3,(H2,9,13,14)
InChIKeyQOTMAIJKWDDBJN-UHFFFAOYSA-N
XLogP-0.01
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 14422514) is 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is Cc1cc(C)n2ncc(S(N)(=O)=O)c2n1.
What is the InChIKey of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is QOTMAIJKWDDBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-5-3-6(2)12-8(11-5)7(4-10-12)15(9,13)14/h3-4H,1-2H3,(H2,9,13,14).
What are the key properties of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 226.26 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 14422514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).