2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone

C11H18N4O2 — CID 102955084

IUPAC2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(C(=O)Cn2cc(N)cn2)C1
InChIInChI=1S/C11H18N4O2/c1-17-10-3-2-4-14(7-10)11(16)8-15-6-9(12)5-13-15/h5-6,10H,2-4,7-8,12H2,1H3
InChIKeyMRWFCVJOKWFKLT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.10
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone

2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone (PubChem CID 102955084) 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-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
PubChem CID102955084
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(C(=O)Cn2cc(N)cn2)C1
InChIInChI=1S/C11H18N4O2/c1-17-10-3-2-4-14(7-10)11(16)8-15-6-9(12)5-13-15/h5-6,10H,2-4,7-8,12H2,1H3
InChIKeyMRWFCVJOKWFKLT-UHFFFAOYSA-N
XLogP0.10
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107209661
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
N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
CID 113402026
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796728
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 55005608
1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502855
2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81096183
(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315409
3-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 123848146

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone (CID 102955084) is 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone is COC1CCCN(C(=O)Cn2cc(N)cn2)C1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone?
The InChIKey is MRWFCVJOKWFKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-10-3-2-4-14(7-10)11(16)8-15-6-9(12)5-13-15/h5-6,10H,2-4,7-8,12H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone?
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 102955084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).