2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide

C12H22N4O2 — CID 106237971

IUPAC2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide
SMILESCCC(C)n1ccc(CNCCOCC(N)=O)n1
InChIInChI=1S/C12H22N4O2/c1-3-10(2)16-6-4-11(15-16)8-14-5-7-18-9-12(13)17/h4,6,10,14H,3,5,7-9H2,1-2H3,(H2,13,17)
InChIKeyFZXVYKMONCXTBU-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.45
Rot. Bonds9

About 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide

2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide (PubChem CID 106237971) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide
PubChem CID106237971
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide
SMILESCCC(C)n1ccc(CNCCOCC(N)=O)n1
InChIInChI=1S/C12H22N4O2/c1-3-10(2)16-6-4-11(15-16)8-14-5-7-18-9-12(13)17/h4,6,10,14H,3,5,7-9H2,1-2H3,(H2,13,17)
InChIKeyFZXVYKMONCXTBU-UHFFFAOYSA-N
XLogP0.45
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
CID 64801986
methyl 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]propanoate
CID 64800871
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
CID 106236870
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
2-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethoxy]acetamide
CID 106236565
2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
CID 106237704
1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167888
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide (CID 106237971) is 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide is CCC(C)n1ccc(CNCCOCC(N)=O)n1.
What is the InChIKey of 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide?
The InChIKey is FZXVYKMONCXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-10(2)16-6-4-11(15-16)8-14-5-7-18-9-12(13)17/h4,6,10,14H,3,5,7-9H2,1-2H3,(H2,13,17).
What are the key properties of 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide?
2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106237971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).