2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide

C13H16N4O2 — CID 61459957

IUPAC2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESNc1cccc(OCC(=O)NCCn2cccn2)c1
InChIInChI=1S/C13H16N4O2/c14-11-3-1-4-12(9-11)19-10-13(18)15-6-8-17-7-2-5-16-17/h1-5,7,9H,6,8,10,14H2,(H,15,18)
InChIKeyMQRJCDRLZTZYOL-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.66
Rot. Bonds6

About 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide

2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 61459957) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID61459957
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESNc1cccc(OCC(=O)NCCn2cccn2)c1
InChIInChI=1S/C13H16N4O2/c14-11-3-1-4-12(9-11)19-10-13(18)15-6-8-17-7-2-5-16-17/h1-5,7,9H,6,8,10,14H2,(H,15,18)
InChIKeyMQRJCDRLZTZYOL-UHFFFAOYSA-N
XLogP0.66
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 115319643
3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide
CID 106591217
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 104616215
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 61283448
N-ethyl-2-[3-[[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111905144

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide (CID 61459957) is 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide is Nc1cccc(OCC(=O)NCCn2cccn2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is MQRJCDRLZTZYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-11-3-1-4-12(9-11)19-10-13(18)15-6-8-17-7-2-5-16-17/h1-5,7,9H,6,8,10,14H2,(H,15,18).
What are the key properties of 2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide?
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.66, 6 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-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 61459957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).