2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine

C12H15N5O2S — CID 175658463

IUPAC2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine
SMILESCS(=O)(=O)N1CCCC1c1cnc(-c2ccn[nH]2)cn1
InChIInChI=1S/C12H15N5O2S/c1-20(18,19)17-6-2-3-12(17)11-8-13-10(7-14-11)9-4-5-15-16-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,15,16)
InChIKeyDAYVQXPXKHOFQE-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.96
Rot. Bonds3

About 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine

2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine (PubChem CID 175658463) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine
PubChem CID175658463
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine
SMILESCS(=O)(=O)N1CCCC1c1cnc(-c2ccn[nH]2)cn1
InChIInChI=1S/C12H15N5O2S/c1-20(18,19)17-6-2-3-12(17)11-8-13-10(7-14-11)9-4-5-15-16-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,15,16)
InChIKeyDAYVQXPXKHOFQE-UHFFFAOYSA-N
XLogP0.96
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine?
The IUPAC name of 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine (CID 175658463) is 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine.
What is the SMILES notation for 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine?
The canonical SMILES for 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine is CS(=O)(=O)N1CCCC1c1cnc(-c2ccn[nH]2)cn1.
What is the InChIKey of 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine?
The InChIKey is DAYVQXPXKHOFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-20(18,19)17-6-2-3-12(17)11-8-13-10(7-14-11)9-4-5-15-16-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine?
2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine has a molecular weight of 293.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine is sourced from PubChem (CID 175658463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).