cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone

C18H29N3O3S — CID 16896655

IUPACcyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone
SMILESCc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C18H29N3O3S/c1-13-9-11-20(12-10-13)25(23,24)17-14(2)19-21(15(17)3)18(22)16-7-5-4-6-8-16/h13,16H,4-12H2,1-3H3
InChIKeyBGKJUMBIWNXHLA-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.14
Rot. Bonds3

About cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone

cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone (PubChem CID 16896655) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone
PubChem CID16896655
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Namecyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone
SMILESCc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C18H29N3O3S/c1-13-9-11-20(12-10-13)25(23,24)17-14(2)19-21(15(17)3)18(22)16-7-5-4-6-8-16/h13,16H,4-12H2,1-3H3
InChIKeyBGKJUMBIWNXHLA-UHFFFAOYSA-N
XLogP3.14
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-cyclopentylmethanone
CID 16896651
2-cyclohexyl-1-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]ethanone
CID 18565358
2-cyclohexyl-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone
CID 18565356
[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53028420
N-cycloheptyl-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 50794548
[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-(2-nitrophenyl)methanone
CID 27453157
1-adamantyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone
CID 35584035
(3,4-diethoxyphenyl)-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone
CID 22578982
[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 53078717
(4-bromophenyl)-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone
CID 27452918
cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 110328647
1-[1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonyl-4-methylpiperidine
CID 22579049

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone?
The IUPAC name of cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone (CID 16896655) is cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone is Cc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone?
The InChIKey is BGKJUMBIWNXHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13-9-11-20(12-10-13)25(23,24)17-14(2)19-21(15(17)3)18(22)16-7-5-4-6-8-16/h13,16H,4-12H2,1-3H3.
What are the key properties of cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone?
cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone has a molecular weight of 367.52 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone is sourced from PubChem (CID 16896655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).