5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one

C10H15N3O3 — CID 110269469

IUPAC5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one
SMILESCC(=O)N1CCOC(c2cc(=O)n(C)[nH]2)C1
InChIInChI=1S/C10H15N3O3/c1-7(14)13-3-4-16-9(6-13)8-5-10(15)12(2)11-8/h5,9,11H,3-4,6H2,1-2H3
InChIKeyYQDQIQBWUZEFTB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.37
Rot. Bonds1

About 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one

5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one (PubChem CID 110269469) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one
PubChem CID110269469
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one
SMILESCC(=O)N1CCOC(c2cc(=O)n(C)[nH]2)C1
InChIInChI=1S/C10H15N3O3/c1-7(14)13-3-4-16-9(6-13)8-5-10(15)12(2)11-8/h5,9,11H,3-4,6H2,1-2H3
InChIKeyYQDQIQBWUZEFTB-UHFFFAOYSA-N
XLogP-0.37
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one
CID 110258879
2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one
CID 110259007
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
4-[(2S)-4-acetylmorpholin-2-yl]benzoic acid
CID 167741837
1-(4-acetylmorpholin-2-yl)ethanone
CID 59110253
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
4-acetylmorpholine-2-carboxylic acid
CID 20598078
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 166257079
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one (CID 110269469) is 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one is CC(=O)N1CCOC(c2cc(=O)n(C)[nH]2)C1.
What is the InChIKey of 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one?
The InChIKey is YQDQIQBWUZEFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(14)13-3-4-16-9(6-13)8-5-10(15)12(2)11-8/h5,9,11H,3-4,6H2,1-2H3.
What are the key properties of 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one?
5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one has a molecular weight of 225.25 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylmorpholin-2-yl)-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 110269469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).