1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide

C12H19N3O3S — CID 55030816

IUPAC1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H19N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-10-4-6-11(16)7-5-10/h10,14H,4-7H2,1-3H3
InChIKeyRNYUILLEGALTEE-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.83
Rot. Bonds3

About 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide (PubChem CID 55030816) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
PubChem CID55030816
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H19N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-10-4-6-11(16)7-5-10/h10,14H,4-7H2,1-3H3
InChIKeyRNYUILLEGALTEE-UHFFFAOYSA-N
XLogP0.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
N-[2-(cyclopropylmethyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 91922692
1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
CID 91626349
N-[1-(3,3-dimethylbutyl)azepan-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 70721972
N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104953256
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22204440
N-[2-(dimethylamino)cyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126826994
N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 103835944
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357939
4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide
CID 106314646
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43597155
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 95142288

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide (CID 55030816) is 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is RNYUILLEGALTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-10-4-6-11(16)7-5-10/h10,14H,4-7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55030816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).