3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide

C11H20N4O2S — CID 54922898

IUPAC3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cn(C)nc2N)C1
InChIInChI=1S/C11H20N4O2S/c1-8-4-3-5-9(6-8)14-18(16,17)10-7-15(2)13-11(10)12/h7-9,14H,3-6H2,1-2H3,(H2,12,13)
InChIKeyFNJFRXKTJGWDGJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.86
Rot. Bonds3

About 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide (PubChem CID 54922898) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide
PubChem CID54922898
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cn(C)nc2N)C1
InChIInChI=1S/C11H20N4O2S/c1-8-4-3-5-9(6-8)14-18(16,17)10-7-15(2)13-11(10)12/h7-9,14H,3-6H2,1-2H3,(H2,12,13)
InChIKeyFNJFRXKTJGWDGJ-UHFFFAOYSA-N
XLogP0.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide
CID 65471585
5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 60809111
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
CID 62146579
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 43456995
5-bromo-2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 61298927
3-amino-4-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 81466551
3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
CID 61106043
1-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-3-amine
CID 61225373
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
CID 61108787

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide (CID 54922898) is 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide is CC1CCCC(NS(=O)(=O)c2cn(C)nc2N)C1.
What is the InChIKey of 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is FNJFRXKTJGWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-4-3-5-9(6-8)14-18(16,17)10-7-15(2)13-11(10)12/h7-9,14H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 54922898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).