2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine

C13H17N5O2S — CID 118739907

IUPAC2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine
SMILESCS(=O)(=O)N1CCC(c2cnc(-c3cn[nH]c3)cn2)CC1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)18-4-2-10(3-5-18)12-8-15-13(9-14-12)11-6-16-17-7-11/h6-10H,2-5H2,1H3,(H,16,17)
InChIKeySAOPNAKFLRQGHP-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.01
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine

2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine (PubChem CID 118739907) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine
PubChem CID118739907
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine
SMILESCS(=O)(=O)N1CCC(c2cnc(-c3cn[nH]c3)cn2)CC1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)18-4-2-10(3-5-18)12-8-15-13(9-14-12)11-6-16-17-7-11/h6-10H,2-5H2,1H3,(H,16,17)
InChIKeySAOPNAKFLRQGHP-UHFFFAOYSA-N
XLogP1.01
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine (CID 118739907) is 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine is CS(=O)(=O)N1CCC(c2cnc(-c3cn[nH]c3)cn2)CC1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine?
The InChIKey is SAOPNAKFLRQGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-21(19,20)18-4-2-10(3-5-18)12-8-15-13(9-14-12)11-6-16-17-7-11/h6-10H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine?
2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine has a molecular weight of 307.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine is sourced from PubChem (CID 118739907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).