1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine

C15H24N6O2S — CID 154756100

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
SMILESCc1nc(S(=O)(=O)N2CCN(CCc3ccnn3C)CC2)cn1C
InChIInChI=1S/C15H24N6O2S/c1-13-17-15(12-18(13)2)24(22,23)21-10-8-20(9-11-21)7-5-14-4-6-16-19(14)3/h4,6,12H,5,7-11H2,1-3H3
InChIKeyLJIZNWZQHGSUKQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.01
Rot. Bonds5

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine

1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine (PubChem CID 154756100) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
PubChem CID154756100
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
SMILESCc1nc(S(=O)(=O)N2CCN(CCc3ccnn3C)CC2)cn1C
InChIInChI=1S/C15H24N6O2S/c1-13-17-15(12-18(13)2)24(22,23)21-10-8-20(9-11-21)7-5-14-4-6-16-19(14)3/h4,6,12H,5,7-11H2,1-3H3
InChIKeyLJIZNWZQHGSUKQ-UHFFFAOYSA-N
XLogP0.01
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine (CID 154756100) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine is Cc1nc(S(=O)(=O)N2CCN(CCc3ccnn3C)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine?
The InChIKey is LJIZNWZQHGSUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-13-17-15(12-18(13)2)24(22,23)21-10-8-20(9-11-21)7-5-14-4-6-16-19(14)3/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine has a molecular weight of 352.46 g/mol, XLogP of 0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 154756100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).