2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

C10H15F3N4O2 — CID 119796081

IUPAC2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESCOCCNCC(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N4O2/c1-19-3-2-14-5-9(18)16-8-4-15-17(6-8)7-10(11,12)13/h4,6,14H,2-3,5,7H2,1H3,(H,16,18)
InChIKeyJGQUIIWGYMIQRT-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.62
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (PubChem CID 119796081) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
PubChem CID119796081
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESCOCCNCC(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N4O2/c1-19-3-2-14-5-9(18)16-8-4-15-17(6-8)7-10(11,12)13/h4,6,14H,2-3,5,7H2,1H3,(H,16,18)
InChIKeyJGQUIIWGYMIQRT-UHFFFAOYSA-N
XLogP0.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.62
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

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741112
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741219
2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119753037
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide
CID 97178848
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (CID 119796081) is 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is COCCNCC(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The InChIKey is JGQUIIWGYMIQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-19-3-2-14-5-9(18)16-8-4-15-17(6-8)7-10(11,12)13/h4,6,14H,2-3,5,7H2,1H3,(H,16,18).
What are the key properties of 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide has a molecular weight of 280.25 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 119796081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).