1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C15H26N6O2S — CID 121477777

IUPAC1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2cnn(CC)c2C)CC1
InChIInChI=1S/C15H26N6O2S/c1-4-18-8-10-19(11-9-18)15-16-6-7-21(15)24(22,23)14-12-17-20(5-2)13(14)3/h12H,4-11H2,1-3H3
InChIKeyMTENDOYBSMFGEI-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.21
Rot. Bonds4

About 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477777) has the molecular formula C15H26N6O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477777
Molecular FormulaC15H26N6O2S
Molecular Weight354.48 g/mol
Exact Mass354.18
IUPAC Name1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2cnn(CC)c2C)CC1
InChIInChI=1S/C15H26N6O2S/c1-4-18-8-10-19(11-9-18)15-16-6-7-21(15)24(22,23)14-12-17-20(5-2)13(14)3/h12H,4-11H2,1-3H3
InChIKeyMTENDOYBSMFGEI-UHFFFAOYSA-N
XLogP0.21
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477777) is 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CCN1CCN(C2=NCCN2S(=O)(=O)c2cnn(CC)c2C)CC1.
What is the InChIKey of 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is MTENDOYBSMFGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2S/c1-4-18-8-10-19(11-9-18)15-16-6-7-21(15)24(22,23)14-12-17-20(5-2)13(14)3/h12H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 354.48 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).