2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol

C12H22N4O3S — CID 102825422

IUPAC2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
SMILESCC1CCN(c2nn(CCO)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N4O3S/c1-9-3-5-15(6-4-9)12-10(20(2,18)19)11(13)16(14-12)7-8-17/h9,17H,3-8,13H2,1-2H3
InChIKeyAXUFLUSTJOUMLB-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.10
Rot. Bonds4

About 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol

2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol (PubChem CID 102825422) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
PubChem CID102825422
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
SMILESCC1CCN(c2nn(CCO)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N4O3S/c1-9-3-5-15(6-4-9)12-10(20(2,18)19)11(13)16(14-12)7-8-17/h9,17H,3-8,13H2,1-2H3
InChIKeyAXUFLUSTJOUMLB-UHFFFAOYSA-N
XLogP0.10
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol 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 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol (CID 102825422) is 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol is CC1CCN(c2nn(CCO)c(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol?
The InChIKey is AXUFLUSTJOUMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-9-3-5-15(6-4-9)12-10(20(2,18)19)11(13)16(14-12)7-8-17/h9,17H,3-8,13H2,1-2H3.
What are the key properties of 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol?
2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol has a molecular weight of 302.40 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol is sourced from PubChem (CID 102825422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).