2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine

C16H23N5O2S — CID 110102174

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1nccnc1C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H23N5O2S/c1-11-14(12(2)20(3)19-11)16-15(17-7-8-18-16)13-6-5-9-21(10-13)24(4,22)23/h7-8,13H,5-6,9-10H2,1-4H3
InChIKeyKROMLAGZJHLDFG-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine

2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine (PubChem CID 110102174) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
PubChem CID110102174
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1nccnc1C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H23N5O2S/c1-11-14(12(2)20(3)19-11)16-15(17-7-8-18-16)13-6-5-9-21(10-13)24(4,22)23/h7-8,13H,5-6,9-10H2,1-4H3
InChIKeyKROMLAGZJHLDFG-UHFFFAOYSA-N
XLogP1.63
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125001800
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007
2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125024996
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
CID 124972911
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 110102156
1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine
CID 110269050
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine (CID 110102174) is 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine is Cc1nn(C)c(C)c1-c1nccnc1C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The InChIKey is KROMLAGZJHLDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-14(12(2)20(3)19-11)16-15(17-7-8-18-16)13-6-5-9-21(10-13)24(4,22)23/h7-8,13H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine has a molecular weight of 349.46 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).