6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H12N4O2S — CID 57326914

IUPAC6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccnn3c2N)cc1
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)10-4-2-9(3-5-10)11-8-15-12-6-7-16-17(12)13(11)14/h2-8H,14H2,1H3
InChIKeyVJNJFDPNYJQQHP-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.38
Rot. Bonds2

About 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 57326914) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID57326914
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccnn3c2N)cc1
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)10-4-2-9(3-5-10)11-8-15-12-6-7-16-17(12)13(11)14/h2-8H,14H2,1H3
InChIKeyVJNJFDPNYJQQHP-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 57326914) is 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1ccc(-c2cnc3ccnn3c2N)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VJNJFDPNYJQQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-20(18,19)10-4-2-9(3-5-10)11-8-15-12-6-7-16-17(12)13(11)14/h2-8H,14H2,1H3.
What are the key properties of 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 288.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 57326914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).