3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

C13H11ClN4O2S — CID 1477911

IUPAC3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N
InChIInChI=1S/C13H11ClN4O2S/c1-21(19,20)11-7-16-13-10(6-17-18(13)12(11)15)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3
InChIKeyUUUFDWDLSLXLSD-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.04
Rot. Bonds2

About 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1477911) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1477911
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N
InChIInChI=1S/C13H11ClN4O2S/c1-21(19,20)11-7-16-13-10(6-17-18(13)12(11)15)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3
InChIKeyUUUFDWDLSLXLSD-UHFFFAOYSA-N
XLogP2.04
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1477911) is 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N.
What is the InChIKey of 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UUUFDWDLSLXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-21(19,20)11-7-16-13-10(6-17-18(13)12(11)15)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.78 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1477911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).