2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine

C15H21N5O2S — CID 110114115

IUPAC2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine
SMILESCCn1ncc(S(=O)(=O)N2CCCC2c2cncc(C)n2)c1C
InChIInChI=1S/C15H21N5O2S/c1-4-19-12(3)15(10-17-19)23(21,22)20-7-5-6-14(20)13-9-16-8-11(2)18-13/h8-10,14H,4-7H2,1-3H3
InChIKeyQCDXJVFSFRBQGZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.84
Rot. Bonds4

About 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine

2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine (PubChem CID 110114115) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine
PubChem CID110114115
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine
SMILESCCn1ncc(S(=O)(=O)N2CCCC2c2cncc(C)n2)c1C
InChIInChI=1S/C15H21N5O2S/c1-4-19-12(3)15(10-17-19)23(21,22)20-7-5-6-14(20)13-9-16-8-11(2)18-13/h8-10,14H,4-7H2,1-3H3
InChIKeyQCDXJVFSFRBQGZ-UHFFFAOYSA-N
XLogP1.84
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
CID 19682814
3-[(2R)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole
CID 92589688
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine
CID 72850934
2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 125018683
(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 124977694
2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine
CID 92617232
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110096404
1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22202160
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836293
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124955557

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine?
The IUPAC name of 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine (CID 110114115) is 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine?
The canonical SMILES for 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine is CCn1ncc(S(=O)(=O)N2CCCC2c2cncc(C)n2)c1C.
What is the InChIKey of 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine?
The InChIKey is QCDXJVFSFRBQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-19-12(3)15(10-17-19)23(21,22)20-7-5-6-14(20)13-9-16-8-11(2)18-13/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine?
2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine has a molecular weight of 335.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine is sourced from PubChem (CID 110114115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).