1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide

C12H21N3O2S — CID 17377844

IUPAC1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C12H21N3O2S/c1-9-4-6-11(7-5-9)14-18(16,17)12-8-15(3)13-10(12)2/h8-9,11,14H,4-7H2,1-3H3
InChIKeyTZOAFDOFDQOXED-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.59
Rot. Bonds3

About 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide (PubChem CID 17377844) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
PubChem CID17377844
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C12H21N3O2S/c1-9-4-6-11(7-5-9)14-18(16,17)12-8-15(3)13-10(12)2/h8-9,11,14H,4-7H2,1-3H3
InChIKeyTZOAFDOFDQOXED-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide (CID 17377844) is 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is TZOAFDOFDQOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-4-6-11(7-5-9)14-18(16,17)12-8-15(3)13-10(12)2/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 17377844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).