2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone

C11H18N4O2 — CID 81096183

IUPAC2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C11H18N4O2/c1-11(17)2-4-14(5-3-11)10(16)8-15-7-9(12)6-13-15/h6-7,17H,2-5,8,12H2,1H3
InChIKeyNLVDIUCHUHBMBR-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.16
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone

2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 81096183) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID81096183
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C11H18N4O2/c1-11(17)2-4-14(5-3-11)10(16)8-15-7-9(12)6-13-15/h6-7,17H,2-5,8,12H2,1H3
InChIKeyNLVDIUCHUHBMBR-UHFFFAOYSA-N
XLogP-0.16
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
CID 113402026
1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol
CID 107403897
2-(3-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107403471
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63822540
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
2-(4-aminopyrazol-1-yl)-N-(4-methyloxan-4-yl)acetamide
CID 113490968
(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315409
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796728
2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 81096183) is 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1(O)CCN(C(=O)Cn2cc(N)cn2)CC1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is NLVDIUCHUHBMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(17)2-4-14(5-3-11)10(16)8-15-7-9(12)6-13-15/h6-7,17H,2-5,8,12H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of -0.16, 2 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-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 81096183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).