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

C12H22N4O2S — CID 64978298

IUPAC2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCCC1CN(S(=O)(=O)c2cn[nH]c2C)C(CC)CN1
InChIInChI=1S/C12H22N4O2S/c1-4-10-8-16(11(5-2)6-13-10)19(17,18)12-7-14-15-9(12)3/h7,10-11,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyGAXDVVXWOGYHGO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.87
Rot. Bonds4

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

2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (PubChem CID 64978298) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
PubChem CID64978298
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCCC1CN(S(=O)(=O)c2cn[nH]c2C)C(CC)CN1
InChIInChI=1S/C12H22N4O2S/c1-4-10-8-16(11(5-2)6-13-10)19(17,18)12-7-14-15-9(12)3/h7,10-11,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyGAXDVVXWOGYHGO-UHFFFAOYSA-N
XLogP0.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978223
[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
CID 80506146
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
CID 64978780
3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
CID 63601722
1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978296
[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 60958528
1-(difluoromethylsulfonyl)-2,5-diethylpiperazine
CID 64978816
2,5-diethyl-N-methylpiperazine-1-sulfonamide
CID 114810900
N,N,2,5-tetraethylpiperazine-1-sulfonamide
CID 64978285
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79553067
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 104975074

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The IUPAC name of 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (CID 64978298) is 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine is CCC1CN(S(=O)(=O)c2cn[nH]c2C)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The InChIKey is GAXDVVXWOGYHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-10-8-16(11(5-2)6-13-10)19(17,18)12-7-14-15-9(12)3/h7,10-11,13H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine has a molecular weight of 286.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine is sourced from PubChem (CID 64978298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).