2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone

C10H16N4O2 — CID 107210649

IUPAC2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
SMILESCCC1(O)CN(C(=O)Cn2ccc(N)n2)C1
InChIInChI=1S/C10H16N4O2/c1-2-10(16)6-13(7-10)9(15)5-14-4-3-8(11)12-14/h3-4,16H,2,5-7H2,1H3,(H2,11,12)
InChIKeyWBGRCWFOGRWCCA-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.55
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone

2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone (PubChem CID 107210649) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
PubChem CID107210649
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
SMILESCCC1(O)CN(C(=O)Cn2ccc(N)n2)C1
InChIInChI=1S/C10H16N4O2/c1-2-10(16)6-13(7-10)9(15)5-14-4-3-8(11)12-14/h3-4,16H,2,5-7H2,1H3,(H2,11,12)
InChIKeyWBGRCWFOGRWCCA-UHFFFAOYSA-N
XLogP-0.55
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55160891
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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone (CID 107210649) is 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone is CCC1(O)CN(C(=O)Cn2ccc(N)n2)C1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is WBGRCWFOGRWCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-10(16)6-13(7-10)9(15)5-14-4-3-8(11)12-14/h3-4,16H,2,5-7H2,1H3,(H2,11,12).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone?
2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 107210649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).