2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C13H16N4O2 — CID 106208034

IUPAC2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(N)cc1)c1cn[nH]c1
InChIInChI=1S/C13H16N4O2/c1-9(10-6-15-16-7-10)17-13(18)8-19-12-4-2-11(14)3-5-12/h2-7,9H,8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyNUPYTSCZLYMVJK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.25
Rot. Bonds5

About 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 106208034) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID106208034
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(N)cc1)c1cn[nH]c1
InChIInChI=1S/C13H16N4O2/c1-9(10-6-15-16-7-10)17-13(18)8-19-12-4-2-11(14)3-5-12/h2-7,9H,8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyNUPYTSCZLYMVJK-UHFFFAOYSA-N
XLogP1.25
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-carbamothioylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106217451
2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856270
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide
CID 106217638
2-(5-amino-2-oxo-1-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208105
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
(E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 106212830

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 106208034) is 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)COc1ccc(N)cc1)c1cn[nH]c1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is NUPYTSCZLYMVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(10-6-15-16-7-10)17-13(18)8-19-12-4-2-11(14)3-5-12/h2-7,9H,8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 106208034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).