3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine

C12H22N4O2S — CID 102825481

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine
SMILESCC1CC(C)CN(c2nn(C)c(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C12H22N4O2S/c1-8-5-9(2)7-16(6-8)12-10(19(4,17)18)11(13)15(3)14-12/h8-9H,5-7,13H2,1-4H3
InChIKeyKCCRCPQFAQKFAD-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.89
Rot. Bonds2

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

3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine (PubChem CID 102825481) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine
PubChem CID102825481
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine
SMILESCC1CC(C)CN(c2nn(C)c(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C12H22N4O2S/c1-8-5-9(2)7-16(6-8)12-10(19(4,17)18)11(13)15(3)14-12/h8-9H,5-7,13H2,1-4H3
InChIKeyKCCRCPQFAQKFAD-UHFFFAOYSA-N
XLogP0.89
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine (CID 102825481) is 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine is CC1CC(C)CN(c2nn(C)c(N)c2S(C)(=O)=O)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine?
The InChIKey is KCCRCPQFAQKFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-8-5-9(2)7-16(6-8)12-10(19(4,17)18)11(13)15(3)14-12/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine?
3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine has a molecular weight of 286.40 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine is sourced from PubChem (CID 102825481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).