3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine

C13H24N4O2S — CID 102825870

IUPAC3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine
SMILESCC1CCN(c2nn(C(C)C)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N4O2S/c1-9(2)17-12(14)11(20(4,18)19)13(15-17)16-7-5-10(3)6-8-16/h9-10H,5-8,14H2,1-4H3
InChIKeyXXBBFZMALZQMKH-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.69
Rot. Bonds3

About 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine

3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine (PubChem CID 102825870) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine
PubChem CID102825870
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine
SMILESCC1CCN(c2nn(C(C)C)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N4O2S/c1-9(2)17-12(14)11(20(4,18)19)13(15-17)16-7-5-10(3)6-8-16/h9-10H,5-8,14H2,1-4H3
InChIKeyXXBBFZMALZQMKH-UHFFFAOYSA-N
XLogP1.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine (CID 102825870) is 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine is CC1CCN(c2nn(C(C)C)c(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine?
The InChIKey is XXBBFZMALZQMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(2)17-12(14)11(20(4,18)19)13(15-17)16-7-5-10(3)6-8-16/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine?
3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine has a molecular weight of 300.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 102825870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).