2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C16H22N4O2 — CID 119699721

IUPAC2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCOCCNCC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H22N4O2/c1-22-12-10-17-13-16(21)18-9-7-14-3-5-15(6-4-14)20-11-2-8-19-20/h2-6,8,11,17H,7,9-10,12-13H2,1H3,(H,18,21)
InChIKeyTXZCXQDQHHMJCL-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.77
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 119699721) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID119699721
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCOCCNCC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H22N4O2/c1-22-12-10-17-13-16(21)18-9-7-14-3-5-15(6-4-14)20-11-2-8-19-20/h2-6,8,11,17H,7,9-10,12-13H2,1H3,(H,18,21)
InChIKeyTXZCXQDQHHMJCL-UHFFFAOYSA-N
XLogP0.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.77
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

4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412794
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 41412961
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525976
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
methyl 4-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzoate
CID 111864080
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 119699721) is 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is COCCNCC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is TXZCXQDQHHMJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-22-12-10-17-13-16(21)18-9-7-14-3-5-15(6-4-14)20-11-2-8-19-20/h2-6,8,11,17H,7,9-10,12-13H2,1H3,(H,18,21).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 119699721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).