1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone

C13H21N3O2 — CID 79666666

IUPAC1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCN1CCOC(C(=O)Cc2cnn(CC)c2)C1
InChIInChI=1S/C13H21N3O2/c1-3-15-5-6-18-13(10-15)12(17)7-11-8-14-16(4-2)9-11/h8-9,13H,3-7,10H2,1-2H3
InChIKeyJOLUYJPNAFXYFI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.74
Rot. Bonds5

About 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone

1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 79666666) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID79666666
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCN1CCOC(C(=O)Cc2cnn(CC)c2)C1
InChIInChI=1S/C13H21N3O2/c1-3-15-5-6-18-13(10-15)12(17)7-11-8-14-16(4-2)9-11/h8-9,13H,3-7,10H2,1-2H3
InChIKeyJOLUYJPNAFXYFI-UHFFFAOYSA-N
XLogP0.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79087358
4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide
CID 79681565
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
CID 79669008
1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116589294
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79666951
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
4-ethylmorpholine-2-carboxylate
CID 127053688
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone (CID 79666666) is 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone is CCN1CCOC(C(=O)Cc2cnn(CC)c2)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is JOLUYJPNAFXYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-15-5-6-18-13(10-15)12(17)7-11-8-14-16(4-2)9-11/h8-9,13H,3-7,10H2,1-2H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone?
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 79666666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).