2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol

C11H21N5O3S — CID 102825420

IUPAC2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1c(NC2CCNCC2)nn(CCO)c1N
InChIInChI=1S/C11H21N5O3S/c1-20(18,19)9-10(12)16(6-7-17)15-11(9)14-8-2-4-13-5-3-8/h8,13,17H,2-7,12H2,1H3,(H,14,15)
InChIKeyQNUPIKZFAAYUBB-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.98
Rot. Bonds5

About 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol

2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol (PubChem CID 102825420) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol
PubChem CID102825420
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1c(NC2CCNCC2)nn(CCO)c1N
InChIInChI=1S/C11H21N5O3S/c1-20(18,19)9-10(12)16(6-7-17)15-11(9)14-8-2-4-13-5-3-8/h8,13,17H,2-7,12H2,1H3,(H,14,15)
InChIKeyQNUPIKZFAAYUBB-UHFFFAOYSA-N
XLogP-0.98
TPSA122.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol (CID 102825420) is 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol is CS(=O)(=O)c1c(NC2CCNCC2)nn(CCO)c1N.
What is the InChIKey of 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol?
The InChIKey is QNUPIKZFAAYUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-20(18,19)9-10(12)16(6-7-17)15-11(9)14-8-2-4-13-5-3-8/h8,13,17H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol?
2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol has a molecular weight of 303.39 g/mol, XLogP of -0.98, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 102825420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).