1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine

C11H15N5O2S — CID 110269050

IUPAC1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine
SMILESCn1nc(C2CCN(S(C)(=O)=O)C2)c2nccnc21
InChIInChI=1S/C11H15N5O2S/c1-15-11-10(12-4-5-13-11)9(14-15)8-3-6-16(7-8)19(2,17)18/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRRDUAPJYFNFXCZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.11
Rot. Bonds2

About 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine

1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine (PubChem CID 110269050) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine
PubChem CID110269050
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine
SMILESCn1nc(C2CCN(S(C)(=O)=O)C2)c2nccnc21
InChIInChI=1S/C11H15N5O2S/c1-15-11-10(12-4-5-13-11)9(14-15)8-3-6-16(7-8)19(2,17)18/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRRDUAPJYFNFXCZ-UHFFFAOYSA-N
XLogP0.11
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine (CID 110269050) is 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine is Cn1nc(C2CCN(S(C)(=O)=O)C2)c2nccnc21.
What is the InChIKey of 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine?
The InChIKey is RRDUAPJYFNFXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-15-11-10(12-4-5-13-11)9(14-15)8-3-6-16(7-8)19(2,17)18/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine?
1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine has a molecular weight of 281.34 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110269050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).