[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide

C12H21N3O2S — CID 165484245

IUPAC[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide
SMILESCc1nn(C2CCC(C)CC2)cc1CS(N)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-9-3-5-12(6-4-9)15-7-11(10(2)14-15)8-18(13,16)17/h7,9,12H,3-6,8H2,1-2H3,(H2,13,16,17)
InChIKeyFMGNZMOJGFBUCM-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.73
Rot. Bonds3

About [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide

[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide (PubChem CID 165484245) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide
PubChem CID165484245
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide
SMILESCc1nn(C2CCC(C)CC2)cc1CS(N)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-9-3-5-12(6-4-9)15-7-11(10(2)14-15)8-18(13,16)17/h7,9,12H,3-6,8H2,1-2H3,(H2,13,16,17)
InChIKeyFMGNZMOJGFBUCM-UHFFFAOYSA-N
XLogP1.73
TPSA77.98 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide?
The IUPAC name of [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide (CID 165484245) is [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide is Cc1nn(C2CCC(C)CC2)cc1CS(N)(=O)=O.
What is the InChIKey of [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide?
The InChIKey is FMGNZMOJGFBUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-3-5-12(6-4-9)15-7-11(10(2)14-15)8-18(13,16)17/h7,9,12H,3-6,8H2,1-2H3,(H2,13,16,17).
What are the key properties of [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide?
[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 165484245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).