2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C15H20N4O2 — CID 79272205

IUPAC2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C15H20N4O2/c1-21-9-7-16-11-15(20)18-14-5-2-4-13(10-14)12-19-8-3-6-17-19/h2-6,8,10,16H,7,9,11-12H2,1H3,(H,18,20)
InChIKeyHQMMCWNOUXGUJP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.11
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 79272205) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID79272205
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C15H20N4O2/c1-21-9-7-16-11-15(20)18-14-5-2-4-13(10-14)12-19-8-3-6-17-19/h2-6,8,10,16H,7,9,11-12H2,1H3,(H,18,20)
InChIKeyHQMMCWNOUXGUJP-UHFFFAOYSA-N
XLogP1.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.11
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-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
CID 87023108
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 79272205) is 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is COCCNCC(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is HQMMCWNOUXGUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-9-7-16-11-15(20)18-14-5-2-4-13(10-14)12-19-8-3-6-17-19/h2-6,8,10,16H,7,9,11-12H2,1H3,(H,18,20).
What are the key properties of 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 79272205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).