1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine

C11H20N4O2S — CID 102825492

IUPAC1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine
SMILESCC1CCN(c2nn(C)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C11H20N4O2S/c1-8-4-6-15(7-5-8)11-9(18(3,16)17)10(12)14(2)13-11/h8H,4-7,12H2,1-3H3
InChIKeyYFUGSQNTTZMQCX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.64
Rot. Bonds2

About 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine

1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine (PubChem CID 102825492) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine
PubChem CID102825492
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine
SMILESCC1CCN(c2nn(C)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C11H20N4O2S/c1-8-4-6-15(7-5-8)11-9(18(3,16)17)10(12)14(2)13-11/h8H,4-7,12H2,1-3H3
InChIKeyYFUGSQNTTZMQCX-UHFFFAOYSA-N
XLogP0.64
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine (CID 102825492) is 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine is CC1CCN(c2nn(C)c(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The InChIKey is YFUGSQNTTZMQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-4-6-15(7-5-8)11-9(18(3,16)17)10(12)14(2)13-11/h8H,4-7,12H2,1-3H3.
What are the key properties of 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine?
1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine has a molecular weight of 272.37 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-5-amine is sourced from PubChem (CID 102825492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).