1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one

C13H23N3O2 — CID 116591620

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
SMILESCCc1cc(CC(=O)CNCCOC)n(CC)n1
InChIInChI=1S/C13H23N3O2/c1-4-11-8-12(16(5-2)15-11)9-13(17)10-14-6-7-18-3/h8,14H,4-7,9-10H2,1-3H3
InChIKeyHNEADAYTYIJRIO-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.81
Rot. Bonds9

About 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one

1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 116591620) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID116591620
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
SMILESCCc1cc(CC(=O)CNCCOC)n(CC)n1
InChIInChI=1S/C13H23N3O2/c1-4-11-8-12(16(5-2)15-11)9-13(17)10-14-6-7-18-3/h8,14H,4-7,9-10H2,1-3H3
InChIKeyHNEADAYTYIJRIO-UHFFFAOYSA-N
XLogP0.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.81
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-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 116555433
1-(2-ethyl-1,2,4-triazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591587
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
CID 106237704
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588612
1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591664
1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591432

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one (CID 116591620) is 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one is CCc1cc(CC(=O)CNCCOC)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is HNEADAYTYIJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-11-8-12(16(5-2)15-11)9-13(17)10-14-6-7-18-3/h8,14H,4-7,9-10H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one?
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 116591620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).