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

C11H18N4O2 — CID 62100895

IUPAC2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone
SMILESCCC1COCCN1C(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H18N4O2/c1-2-9-8-17-6-5-15(9)11(16)7-14-4-3-10(12)13-14/h3-4,9H,2,5-8H2,1H3,(H2,12,13)
InChIKeyBSUGQIRMZJUHNL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.10
Rot. Bonds3

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

2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone (PubChem CID 62100895) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone
PubChem CID62100895
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone
SMILESCCC1COCCN1C(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H18N4O2/c1-2-9-8-17-6-5-15(9)11(16)7-14-4-3-10(12)13-14/h3-4,9H,2,5-8H2,1H3,(H2,12,13)
InChIKeyBSUGQIRMZJUHNL-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone (CID 62100895) is 2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone is CCC1COCCN1C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone?
The InChIKey is BSUGQIRMZJUHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-9-8-17-6-5-15(9)11(16)7-14-4-3-10(12)13-14/h3-4,9H,2,5-8H2,1H3,(H2,12,13).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone?
2-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-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-(3-aminopyrazol-1-yl)-1-(3-ethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 62100895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).