2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide

C12H22N4O2 — CID 106237704

IUPAC2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
SMILESCCc1cc(CNCCOCC(N)=O)n(CC)n1
InChIInChI=1S/C12H22N4O2/c1-3-10-7-11(16(4-2)15-10)8-14-5-6-18-9-12(13)17/h7,14H,3-6,8-9H2,1-2H3,(H2,13,17)
InChIKeyKDJPYNFYMIDCRJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.06
Rot. Bonds9

About 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide

2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide (PubChem CID 106237704) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
PubChem CID106237704
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
SMILESCCc1cc(CNCCOCC(N)=O)n(CC)n1
InChIInChI=1S/C12H22N4O2/c1-3-10-7-11(16(4-2)15-10)8-14-5-6-18-9-12(13)17/h7,14H,3-6,8-9H2,1-2H3,(H2,13,17)
InChIKeyKDJPYNFYMIDCRJ-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
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

2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide
CID 112673626
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
CID 83211873
2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate
CID 83211703
4-bromo-N-[(1,3-diethylpyrazol-5-yl)methyl]butan-1-amine
CID 106844918
N-[(1,3-diethylpyrazol-5-yl)methyl]-3-iodopropan-1-amine
CID 114503610
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591620
2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide
CID 106237971
N-[(1,3-diethylpyrazol-5-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106427466
N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide
CID 106336236
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide (CID 106237704) is 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide is CCc1cc(CNCCOCC(N)=O)n(CC)n1.
What is the InChIKey of 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide?
The InChIKey is KDJPYNFYMIDCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-10-7-11(16(4-2)15-10)8-14-5-6-18-9-12(13)17/h7,14H,3-6,8-9H2,1-2H3,(H2,13,17).
What are the key properties of 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide?
2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106237704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).