2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine

C17H25N5O4S — CID 90637703

IUPAC2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)n1
InChIInChI=1S/C17H25N5O4S/c1-11(2)22-13(4)17(12(3)20-22)27(23,24)21-7-6-14(10-21)26-16-9-18-8-15(19-16)25-5/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeySWMBAYAMIKEIIA-UHFFFAOYSA-N
MW395.49 g/mol
LogP1.72
Rot. Bonds6

About 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine

2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine (PubChem CID 90637703) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
PubChem CID90637703
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)n1
InChIInChI=1S/C17H25N5O4S/c1-11(2)22-13(4)17(12(3)20-22)27(23,24)21-7-6-14(10-21)26-16-9-18-8-15(19-16)25-5/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeySWMBAYAMIKEIIA-UHFFFAOYSA-N
XLogP1.72
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine?
The IUPAC name of 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine (CID 90637703) is 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine?
The canonical SMILES for 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine is COc1cncc(OC2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)C2)n1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine?
The InChIKey is SWMBAYAMIKEIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-11(2)22-13(4)17(12(3)20-22)27(23,24)21-7-6-14(10-21)26-16-9-18-8-15(19-16)25-5/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine?
2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine has a molecular weight of 395.49 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine is sourced from PubChem (CID 90637703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).