6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C11H10N4O2S2 — CID 1477936

IUPAC6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N
InChIInChI=1S/C11H10N4O2S2/c1-19(16,17)9-5-13-11-8(7-2-3-18-6-7)4-14-15(11)10(9)12/h2-6H,12H2,1H3
InChIKeyYIDBNLZSCSQITD-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.44
Rot. Bonds2

About 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1477936) has the molecular formula C11H10N4O2S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1477936
Molecular FormulaC11H10N4O2S2
Molecular Weight294.36 g/mol
Exact Mass294.02
IUPAC Name6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N
InChIInChI=1S/C11H10N4O2S2/c1-19(16,17)9-5-13-11-8(7-2-3-18-6-7)4-14-15(11)10(9)12/h2-6H,12H2,1H3
InChIKeyYIDBNLZSCSQITD-UHFFFAOYSA-N
XLogP1.44
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1477936) is 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N.
What is the InChIKey of 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YIDBNLZSCSQITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S2/c1-19(16,17)9-5-13-11-8(7-2-3-18-6-7)4-14-15(11)10(9)12/h2-6H,12H2,1H3.
What are the key properties of 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1477936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).