1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one

C11H19N3O2 — CID 116591662

IUPAC1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
SMILESCCn1cc(CC(=O)CNCCOC)cn1
InChIInChI=1S/C11H19N3O2/c1-3-14-9-10(7-13-14)6-11(15)8-12-4-5-16-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyRUXUFTXSQBOEBO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.25
Rot. Bonds8

About 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one

1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 116591662) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID116591662
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
SMILESCCn1cc(CC(=O)CNCCOC)cn1
InChIInChI=1S/C11H19N3O2/c1-3-14-9-10(7-13-14)6-11(15)8-12-4-5-16-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyRUXUFTXSQBOEBO-UHFFFAOYSA-N
XLogP0.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116556301
3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62725751
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 62718173
1-(2-ethyl-1,2,4-triazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591587
1-(1-ethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103213962
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62724381
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591432
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one (CID 116591662) is 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one is CCn1cc(CC(=O)CNCCOC)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is RUXUFTXSQBOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-14-9-10(7-13-14)6-11(15)8-12-4-5-16-2/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one?
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 116591662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).