2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine

C16H23N5O4S — CID 90637256

IUPAC2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCC(Oc3nccnc3OC)C2)c1C
InChIInChI=1S/C16H23N5O4S/c1-5-21-12(3)14(11(2)19-21)26(22,23)20-9-6-13(10-20)25-16-15(24-4)17-7-8-18-16/h7-8,13H,5-6,9-10H2,1-4H3
InChIKeyYOPYYLSTQMOMQV-UHFFFAOYSA-N
MW381.46 g/mol
LogP1.16
Rot. Bonds6

About 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine

2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine (PubChem CID 90637256) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine.

Molecular Properties

Compound Name2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
PubChem CID90637256
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCC(Oc3nccnc3OC)C2)c1C
InChIInChI=1S/C16H23N5O4S/c1-5-21-12(3)14(11(2)19-21)26(22,23)20-9-6-13(10-20)25-16-15(24-4)17-7-8-18-16/h7-8,13H,5-6,9-10H2,1-4H3
InChIKeyYOPYYLSTQMOMQV-UHFFFAOYSA-N
XLogP1.16
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The IUPAC name of 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine (CID 90637256) is 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine.
What is the SMILES notation for 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The canonical SMILES for 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine is CCn1nc(C)c(S(=O)(=O)N2CCC(Oc3nccnc3OC)C2)c1C.
What is the InChIKey of 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The InChIKey is YOPYYLSTQMOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-5-21-12(3)14(11(2)19-21)26(22,23)20-9-6-13(10-20)25-16-15(24-4)17-7-8-18-16/h7-8,13H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine has a molecular weight of 381.46 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine is sourced from PubChem (CID 90637256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).