6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C13H12N4O2S — CID 1480611

IUPAC6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2ncc(S(=O)(=O)c3ccccc3)c(N)n2n1
InChIInChI=1S/C13H12N4O2S/c1-9-7-12-15-8-11(13(14)17(12)16-9)20(18,19)10-5-3-2-4-6-10/h2-8H,14H2,1H3
InChIKeyZXARUIJHQMSMCZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.45
Rot. Bonds2

About 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1480611) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1480611
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2ncc(S(=O)(=O)c3ccccc3)c(N)n2n1
InChIInChI=1S/C13H12N4O2S/c1-9-7-12-15-8-11(13(14)17(12)16-9)20(18,19)10-5-3-2-4-6-10/h2-8H,14H2,1H3
InChIKeyZXARUIJHQMSMCZ-UHFFFAOYSA-N
XLogP1.45
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1480611) is 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(N)n2n1.
What is the InChIKey of 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZXARUIJHQMSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-9-7-12-15-8-11(13(14)17(12)16-9)20(18,19)10-5-3-2-4-6-10/h2-8H,14H2,1H3.
What are the key properties of 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 288.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1480611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).