2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide

C14H18N4O2 — CID 62541695

IUPAC2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOCCNC(C(N)=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-20-8-7-16-13(14(15)19)11-9-17-18(10-11)12-5-3-2-4-6-12/h2-6,9-10,13,16H,7-8H2,1H3,(H2,15,19)
InChIKeyPOWUJAGCZINWCS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.63
Rot. Bonds7

About 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide

2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 62541695) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID62541695
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOCCNC(C(N)=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-20-8-7-16-13(14(15)19)11-9-17-18(10-11)12-5-3-2-4-6-12/h2-6,9-10,13,16H,7-8H2,1H3,(H2,15,19)
InChIKeyPOWUJAGCZINWCS-UHFFFAOYSA-N
XLogP0.63
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.63
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-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998789
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 29059511
methyl 3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 43147874
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572196
2-(2-hydroxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 116684995
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide (CID 62541695) is 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide is COCCNC(C(N)=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is POWUJAGCZINWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-8-7-16-13(14(15)19)11-9-17-18(10-11)12-5-3-2-4-6-12/h2-6,9-10,13,16H,7-8H2,1H3,(H2,15,19).
What are the key properties of 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide?
2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 62541695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).