1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide

C11H19N3O2S — CID 47034892

IUPAC1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O2S/c1-9-5-3-4-6-11(9)13-17(15,16)10-7-12-14(2)8-10/h7-9,11,13H,3-6H2,1-2H3
InChIKeyFYKKOCIFVDERHZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.28
Rot. Bonds3

About 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide

1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide (PubChem CID 47034892) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide
PubChem CID47034892
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O2S/c1-9-5-3-4-6-11(9)13-17(15,16)10-7-12-14(2)8-10/h7-9,11,13H,3-6H2,1-2H3
InChIKeyFYKKOCIFVDERHZ-UHFFFAOYSA-N
XLogP1.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide (CID 47034892) is 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide is CC1CCCCC1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is FYKKOCIFVDERHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-5-3-4-6-11(9)13-17(15,16)10-7-12-14(2)8-10/h7-9,11,13H,3-6H2,1-2H3.
What are the key properties of 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide?
1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 47034892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).