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

C16H23N5O3S — CID 90636442

IUPAC2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C16H23N5O3S/c1-11(2)21-13(4)16(12(3)19-21)25(22,23)20-8-5-14(10-20)24-15-9-17-6-7-18-15/h6-7,9,11,14H,5,8,10H2,1-4H3
InChIKeyKQPYYXBKOXVBEC-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.71
Rot. Bonds5

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

2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90636442) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90636442
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C16H23N5O3S/c1-11(2)21-13(4)16(12(3)19-21)25(22,23)20-8-5-14(10-20)24-15-9-17-6-7-18-15/h6-7,9,11,14H,5,8,10H2,1-4H3
InChIKeyKQPYYXBKOXVBEC-UHFFFAOYSA-N
XLogP1.71
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]oxypyrazine?
The IUPAC name of 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90636442) is 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is KQPYYXBKOXVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-11(2)21-13(4)16(12(3)19-21)25(22,23)20-8-5-14(10-20)24-15-9-17-6-7-18-15/h6-7,9,11,14H,5,8,10H2,1-4H3.
What are the key properties of 2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 365.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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]oxypyrazine is sourced from PubChem (CID 90636442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).