2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

C11H18N4O2 — CID 43590005

IUPAC2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESNc1cnn(CC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C11H18N4O2/c12-10-4-13-15(6-10)7-11(17)14-3-1-2-9(5-14)8-16/h4,6,9,16H,1-3,5,7-8,12H2
InChIKeyXMGGKKFDQAWZEX-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.30
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 43590005) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID43590005
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESNc1cnn(CC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C11H18N4O2/c12-10-4-13-15(6-10)7-11(17)14-3-1-2-9(5-14)8-16/h4,6,9,16H,1-3,5,7-8,12H2
InChIKeyXMGGKKFDQAWZEX-UHFFFAOYSA-N
XLogP-0.30
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107209661
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796728
2-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54901528
3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 123848146
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289739
N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
CID 113402026
(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315409
2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 86286203
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81096183
N-[1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531833

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 43590005) is 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is Nc1cnn(CC(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is XMGGKKFDQAWZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-10-4-13-15(6-10)7-11(17)14-3-1-2-9(5-14)8-16/h4,6,9,16H,1-3,5,7-8,12H2.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 238.29 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 43590005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).