2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

C9H15N3O3 — CID 61284127

IUPAC2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESCOCCOCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H15N3O3/c1-14-4-5-15-7-9(13)10-6-8-2-3-11-12-8/h2-3H,4-7H2,1H3,(H,10,13)(H,11,12)
InChIKeyCKQZBGHFQPFYFK-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.31
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 61284127) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID61284127
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESCOCCOCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H15N3O3/c1-14-4-5-15-7-9(13)10-6-8-2-3-11-12-8/h2-3H,4-7H2,1H3,(H,10,13)(H,11,12)
InChIKeyCKQZBGHFQPFYFK-UHFFFAOYSA-N
XLogP-0.31
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
ethane;5-(2-methoxyethyl)-1H-pyrazole
CID 170603937
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60976765
1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 115655367
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
1-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 122564924
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 131084161
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 61284127) is 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide is COCCOCC(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is CKQZBGHFQPFYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-4-5-15-7-9(13)10-6-8-2-3-11-12-8/h2-3H,4-7H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 213.24 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 61284127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).