1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine

C15H24N6O4S2 — CID 17022514

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c(C)n1
InChIInChI=1S/C15H24N6O4S2/c1-5-19-11-15(13(3)17-19)27(24,25)21-8-6-20(7-9-21)26(22,23)14-10-18(4)16-12(14)2/h10-11H,5-9H2,1-4H3
InChIKeyYLQDFQODKSUITJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP-0.05
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17022514) has the molecular formula C15H24N6O4S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17022514
Molecular FormulaC15H24N6O4S2
Molecular Weight416.53 g/mol
Exact Mass416.13
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c(C)n1
InChIInChI=1S/C15H24N6O4S2/c1-5-19-11-15(13(3)17-19)27(24,25)21-8-6-20(7-9-21)26(22,23)14-10-18(4)16-12(14)2/h10-11H,5-9H2,1-4H3
InChIKeyYLQDFQODKSUITJ-UHFFFAOYSA-N
XLogP-0.05
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17301236
1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 19682701
1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46970378
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17371555
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022436
1-(4-tert-butylphenyl)sulfonyl-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 17380671
(3S)-3-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1-methylazepan-2-one
CID 95832113
1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 19560260
1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22202157
cyclobutyl-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 138386749
(1,5-dimethyl-4-nitropyrazol-3-yl)-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19279392
2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17024192

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine (CID 17022514) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine is CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c(C)n1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is YLQDFQODKSUITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O4S2/c1-5-19-11-15(13(3)17-19)27(24,25)21-8-6-20(7-9-21)26(22,23)14-10-18(4)16-12(14)2/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 416.53 g/mol, XLogP of -0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17022514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).