2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine

C15H21N5O3S — CID 164625321

IUPAC2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine
SMILESCCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C15H21N5O3S/c1-3-13-15(11(2)18-19-13)24(21,22)20-8-4-12(5-9-20)23-14-10-16-6-7-17-14/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyPGQHUQMDIDORKG-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.30
Rot. Bonds5

About 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine

2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine (PubChem CID 164625321) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine
PubChem CID164625321
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine
SMILESCCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C15H21N5O3S/c1-3-13-15(11(2)18-19-13)24(21,22)20-8-4-12(5-9-20)23-14-10-16-6-7-17-14/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyPGQHUQMDIDORKG-UHFFFAOYSA-N
XLogP1.30
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine
CID 164609264
2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
CID 90559116
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 71799317
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenoxypiperidine
CID 90025029
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 90559144
1-[[3-(chloromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl]-4-propan-2-ylpiperidine
CID 103504223
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
3-(chloromethyl)-4-(3-methoxypyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazole
CID 103541223
2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558966
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine?
The IUPAC name of 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine (CID 164625321) is 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine is CCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine?
The InChIKey is PGQHUQMDIDORKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-3-13-15(11(2)18-19-13)24(21,22)20-8-4-12(5-9-20)23-14-10-16-6-7-17-14/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine?
2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine has a molecular weight of 351.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 164625321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).