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

C11H20N4O2S — CID 102825998

IUPAC1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCNc1nn(C2CCCCC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H20N4O2S/c1-13-11-9(18(2,16)17)10(12)15(14-11)8-6-4-3-5-7-8/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyQZVCNROYNZZDAA-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.42
Rot. Bonds3

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

1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102825998) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102825998
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCNc1nn(C2CCCCC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H20N4O2S/c1-13-11-9(18(2,16)17)10(12)15(14-11)8-6-4-3-5-7-8/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyQZVCNROYNZZDAA-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102825998) is 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine is CNc1nn(C2CCCCC2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is QZVCNROYNZZDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-13-11-9(18(2,16)17)10(12)15(14-11)8-6-4-3-5-7-8/h8H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 272.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102825998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).