1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine

C12H22N4O2S — CID 22208274

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(Cc2cn(C)nc2C)CC1
InChIInChI=1S/C12H22N4O2S/c1-4-19(17,18)16-7-5-15(6-8-16)10-12-9-14(3)13-11(12)2/h9H,4-8,10H2,1-3H3
InChIKeyVFYLSZWICUZBHF-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.20
Rot. Bonds4

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine (PubChem CID 22208274) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
PubChem CID22208274
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(Cc2cn(C)nc2C)CC1
InChIInChI=1S/C12H22N4O2S/c1-4-19(17,18)16-7-5-15(6-8-16)10-12-9-14(3)13-11(12)2/h9H,4-8,10H2,1-3H3
InChIKeyVFYLSZWICUZBHF-UHFFFAOYSA-N
XLogP0.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208278
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 22208281
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208261
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 19584044
1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208461
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
(3S)-3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-azabicyclo[2.2.2]octane
CID 99927899
N-butan-2-yl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide
CID 19291721

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine (CID 22208274) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(Cc2cn(C)nc2C)CC1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine?
The InChIKey is VFYLSZWICUZBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-19(17,18)16-7-5-15(6-8-16)10-12-9-14(3)13-11(12)2/h9H,4-8,10H2,1-3H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine has a molecular weight of 286.40 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine is sourced from PubChem (CID 22208274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).