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

C10H18N4O2 — CID 112673626

IUPAC2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide
SMILESCCc1cc(CNOCC(N)=O)n(CC)n1
InChIInChI=1S/C10H18N4O2/c1-3-8-5-9(14(4-2)13-8)6-12-16-7-10(11)15/h5,12H,3-4,6-7H2,1-2H3,(H2,11,15)
InChIKeyWHPPEVRPCFEWFX-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.03
Rot. Bonds7

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

2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide (PubChem CID 112673626) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide
PubChem CID112673626
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide
SMILESCCc1cc(CNOCC(N)=O)n(CC)n1
InChIInChI=1S/C10H18N4O2/c1-3-8-5-9(14(4-2)13-8)6-12-16-7-10(11)15/h5,12H,3-4,6-7H2,1-2H3,(H2,11,15)
InChIKeyWHPPEVRPCFEWFX-UHFFFAOYSA-N
XLogP-0.03
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
CID 106237704
3-amino-2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899899
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297418
methyl 3-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]-2-methylpropanoate
CID 66114468
tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
CID 83226023
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
3,5-diethylpyrazole-1-carboxamide
CID 91622965

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide (CID 112673626) is 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide is CCc1cc(CNOCC(N)=O)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide?
The InChIKey is WHPPEVRPCFEWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-8-5-9(14(4-2)13-8)6-12-16-7-10(11)15/h5,12H,3-4,6-7H2,1-2H3,(H2,11,15).
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide?
2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide has a molecular weight of 226.28 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide is sourced from PubChem (CID 112673626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).