2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine

C15H21N5O4S — CID 90637239

IUPAC2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1nccnc1OC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C15H21N5O4S/c1-10-13(11(2)19(3)18-10)25(21,22)20-8-5-12(9-20)24-15-14(23-4)16-6-7-17-15/h6-7,12H,5,8-9H2,1-4H3
InChIKeySDZOKFBOGMVQDZ-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.68
Rot. Bonds5

About 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90637239) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90637239
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1nccnc1OC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C15H21N5O4S/c1-10-13(11(2)19(3)18-10)25(21,22)20-8-5-12(9-20)24-15-14(23-4)16-6-7-17-15/h6-7,12H,5,8-9H2,1-4H3
InChIKeySDZOKFBOGMVQDZ-UHFFFAOYSA-N
XLogP0.68
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90637239) is 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is COc1nccnc1OC1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1.
What is the InChIKey of 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is SDZOKFBOGMVQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-10-13(11(2)19(3)18-10)25(21,22)20-8-5-12(9-20)24-15-14(23-4)16-6-7-17-15/h6-7,12H,5,8-9H2,1-4H3.
What are the key properties of 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 367.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90637239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).