3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine

C11H20N4O2S — CID 102825485

IUPAC3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCn1nc(NC2CCCCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C11H20N4O2S/c1-15-10(12)9(18(2,16)17)11(14-15)13-8-6-4-3-5-7-8/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyCSCQXIKXGXAQKO-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.15
Rot. Bonds3

About 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine

3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102825485) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102825485
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCn1nc(NC2CCCCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C11H20N4O2S/c1-15-10(12)9(18(2,16)17)11(14-15)13-8-6-4-3-5-7-8/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyCSCQXIKXGXAQKO-UHFFFAOYSA-N
XLogP1.15
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102825485) is 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine is Cn1nc(NC2CCCCC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is CSCQXIKXGXAQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15-10(12)9(18(2,16)17)11(14-15)13-8-6-4-3-5-7-8/h8H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 272.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102825485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).