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

C11H19N3O2S — CID 54930250

IUPAC5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C11H19N3O2S/c1-8-5-3-4-6-10(8)14-17(15,16)11-7-12-13-9(11)2/h7-8,10,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyDNTCKBSGYXSYCJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.58
Rot. Bonds3

About 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54930250) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
PubChem CID54930250
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C11H19N3O2S/c1-8-5-3-4-6-10(8)14-17(15,16)11-7-12-13-9(11)2/h7-8,10,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyDNTCKBSGYXSYCJ-UHFFFAOYSA-N
XLogP1.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide (CID 54930250) is 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DNTCKBSGYXSYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-5-3-4-6-10(8)14-17(15,16)11-7-12-13-9(11)2/h7-8,10,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylcyclohexyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54930250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).