2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

C11H18N4O2 — CID 114796728

IUPAC2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESNc1cnn(CC(=O)N2CCC(CCO)C2)c1
InChIInChI=1S/C11H18N4O2/c12-10-5-13-15(7-10)8-11(17)14-3-1-9(6-14)2-4-16/h5,7,9,16H,1-4,6,8,12H2
InChIKeyWVFUSSQIAALFKZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.30
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 114796728) 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-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID114796728
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESNc1cnn(CC(=O)N2CCC(CCO)C2)c1
InChIInChI=1S/C11H18N4O2/c12-10-5-13-15(7-10)8-11(17)14-3-1-9(6-14)2-4-16/h5,7,9,16H,1-4,6,8,12H2
InChIKeyWVFUSSQIAALFKZ-UHFFFAOYSA-N
XLogP-0.30
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone
CID 115775334
N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
CID 113402026
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 114797096
4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314
2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81096183
2-(4-aminopyrazol-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 114514841
(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796663
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-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 114796728) is 2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is Nc1cnn(CC(=O)N2CCC(CCO)C2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WVFUSSQIAALFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-10-5-13-15(7-10)8-11(17)14-3-1-9(6-14)2-4-16/h5,7,9,16H,1-4,6,8,12H2.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 238.29 g/mol, XLogP of -0.30, 4 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-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 114796728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).