2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide

C13H16N4O2 — CID 61090242

IUPAC2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2cccc(N)c2)n(C)n1
InChIInChI=1S/C13H16N4O2/c1-9-6-12(17(2)16-9)15-13(18)8-19-11-5-3-4-10(14)7-11/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyWLEXZKMZGIFHGX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 61090242) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID61090242
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2cccc(N)c2)n(C)n1
InChIInChI=1S/C13H16N4O2/c1-9-6-12(17(2)16-9)15-13(18)8-19-11-5-3-4-10(14)7-11/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyWLEXZKMZGIFHGX-UHFFFAOYSA-N
XLogP1.33
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide
CID 55377416
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
CID 61035585
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 104616215
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 47058598
2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 2811788
2-(3-aminophenoxy)-N-(5-fluoro-2-pyridinyl)acetamide
CID 65481050
2-(5-amino-2-pyridinyl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 107337477

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 61090242) is 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)COc2cccc(N)c2)n(C)n1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is WLEXZKMZGIFHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-6-12(17(2)16-9)15-13(18)8-19-11-5-3-4-10(14)7-11/h3-7H,8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 61090242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).