1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine

C11H20N4O2S — CID 63616216

IUPAC1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCCN1CCN(S(=O)(=O)c2cn[nH]c2C)CC1C
InChIInChI=1S/C11H20N4O2S/c1-4-14-5-6-15(8-9(14)2)18(16,17)11-7-12-13-10(11)3/h7,9H,4-6,8H2,1-3H3,(H,12,13)
InChIKeyBYAJTLHXKPNZAG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.43
Rot. Bonds3

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

1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (PubChem CID 63616216) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
PubChem CID63616216
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCCN1CCN(S(=O)(=O)c2cn[nH]c2C)CC1C
InChIInChI=1S/C11H20N4O2S/c1-4-14-5-6-15(8-9(14)2)18(16,17)11-7-12-13-10(11)3/h7,9H,4-6,8H2,1-3H3,(H,12,13)
InChIKeyBYAJTLHXKPNZAG-UHFFFAOYSA-N
XLogP0.43
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The IUPAC name of 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (CID 63616216) is 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine.
What is the SMILES notation for 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The canonical SMILES for 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine is CCN1CCN(S(=O)(=O)c2cn[nH]c2C)CC1C.
What is the InChIKey of 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The InChIKey is BYAJTLHXKPNZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-14-5-6-15(8-9(14)2)18(16,17)11-7-12-13-10(11)3/h7,9H,4-6,8H2,1-3H3,(H,12,13).
What are the key properties of 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine has a molecular weight of 272.37 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine is sourced from PubChem (CID 63616216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).