1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine

C15H28N4O2S — CID 71783868

IUPAC1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine
SMILESCCCCS(=O)(=O)N1CCN(CCn2nc(C)cc2C)CC1
InChIInChI=1S/C15H28N4O2S/c1-4-5-12-22(20,21)18-9-6-17(7-10-18)8-11-19-15(3)13-14(2)16-19/h13H,4-12H2,1-3H3
InChIKeySCOISZLMINLQPG-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.25
Rot. Bonds7

About 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine

1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine (PubChem CID 71783868) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine
PubChem CID71783868
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine
SMILESCCCCS(=O)(=O)N1CCN(CCn2nc(C)cc2C)CC1
InChIInChI=1S/C15H28N4O2S/c1-4-5-12-22(20,21)18-9-6-17(7-10-18)8-11-19-15(3)13-14(2)16-19/h13H,4-12H2,1-3H3
InChIKeySCOISZLMINLQPG-UHFFFAOYSA-N
XLogP1.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine (CID 71783868) is 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine is CCCCS(=O)(=O)N1CCN(CCn2nc(C)cc2C)CC1.
What is the InChIKey of 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine?
The InChIKey is SCOISZLMINLQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-4-5-12-22(20,21)18-9-6-17(7-10-18)8-11-19-15(3)13-14(2)16-19/h13H,4-12H2,1-3H3.
What are the key properties of 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine?
1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine has a molecular weight of 328.48 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 71783868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).