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

C16H23N5O3S — CID 164609264

IUPAC2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine
SMILESCCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C16H23N5O3S/c1-3-13-16(14(4-2)20-19-13)25(22,23)21-9-5-12(6-10-21)24-15-11-17-7-8-18-15/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20)
InChIKeyQLSHOCULYCUXAT-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.56
Rot. Bonds6

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

2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine (PubChem CID 164609264) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine
PubChem CID164609264
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine
SMILESCCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C16H23N5O3S/c1-3-13-16(14(4-2)20-19-13)25(22,23)21-9-5-12(6-10-21)24-15-11-17-7-8-18-15/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20)
InChIKeyQLSHOCULYCUXAT-UHFFFAOYSA-N
XLogP1.56
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine?
The IUPAC name of 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine (CID 164609264) is 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine is CCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine?
The InChIKey is QLSHOCULYCUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-3-13-16(14(4-2)20-19-13)25(22,23)21-9-5-12(6-10-21)24-15-11-17-7-8-18-15/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine?
2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine has a molecular weight of 365.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 164609264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).