3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C16H20N6O3S — CID 100756332

IUPAC3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCCn1nc(C)c(S(=O)(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)c1C
InChIInChI=1S/C16H20N6O3S/c1-4-22-12(3)15(11(2)20-22)26(23,24)21-8-5-13(10-21)25-16-14(9-17)18-6-7-19-16/h6-7,13H,4-5,8,10H2,1-3H3/t13-/m1/s1
InChIKeyICMWULLJNCXLIW-CYBMUJFWSA-N
MW376.44 g/mol
LogP1.02
Rot. Bonds5

About 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100756332) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100756332
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCCn1nc(C)c(S(=O)(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)c1C
InChIInChI=1S/C16H20N6O3S/c1-4-22-12(3)15(11(2)20-22)26(23,24)21-8-5-13(10-21)25-16-14(9-17)18-6-7-19-16/h6-7,13H,4-5,8,10H2,1-3H3/t13-/m1/s1
InChIKeyICMWULLJNCXLIW-CYBMUJFWSA-N
XLogP1.02
TPSA114.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626857
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626871
3-[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100756359
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636786
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
CID 72548861
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628103
3-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636771
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100653433
4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261730
N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90636815
3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile
CID 91628098

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 100756332) is 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile is CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)c1C.
What is the InChIKey of 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is ICMWULLJNCXLIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-4-22-12(3)15(11(2)20-22)26(23,24)21-8-5-13(10-21)25-16-14(9-17)18-6-7-19-16/h6-7,13H,4-5,8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 376.44 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100756332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).