cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone

C16H26N4O3S — CID 110328647

IUPACcyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H26N4O3S/c1-12-15(13(2)18-17-12)24(22,23)20-10-8-19(9-11-20)16(21)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,17,18)
InChIKeyIXLLJUUUXHBKOD-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.44
Rot. Bonds3

About cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone

cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone (PubChem CID 110328647) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone
PubChem CID110328647
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Namecyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H26N4O3S/c1-12-15(13(2)18-17-12)24(22,23)20-10-8-19(9-11-20)16(21)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,17,18)
InChIKeyIXLLJUUUXHBKOD-UHFFFAOYSA-N
XLogP1.44
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119403670
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110823345
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone;hydrochloride
CID 119520705
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 60959114
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038288
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepane
CID 16768219
2-(1-adamantyl)-1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 108568021

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone (CID 110328647) is cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
The InChIKey is IXLLJUUUXHBKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12-15(13(2)18-17-12)24(22,23)20-10-8-19(9-11-20)16(21)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone has a molecular weight of 354.48 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110328647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).