N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide

C14H18N4O2 — CID 63237279

IUPACN-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCOc1cccc(N)c1)n1cccn1
InChIInChI=1S/C14H18N4O2/c1-11(18-8-3-6-17-18)14(19)16-7-9-20-13-5-2-4-12(15)10-13/h2-6,8,10-11H,7,9,15H2,1H3,(H,16,19)
InChIKeyGFLHPVRAGRTTQL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.22
Rot. Bonds6

About N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide

N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 63237279) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID63237279
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCOc1cccc(N)c1)n1cccn1
InChIInChI=1S/C14H18N4O2/c1-11(18-8-3-6-17-18)14(19)16-7-9-20-13-5-2-4-12(15)10-13/h2-6,8,10-11H,7,9,15H2,1H3,(H,16,19)
InChIKeyGFLHPVRAGRTTQL-UHFFFAOYSA-N
XLogP1.22
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 63237235
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
CID 83146902
2-[3-[(2-pyrazol-1-ylpropanoylamino)methyl]phenoxy]acetic acid
CID 119246406
N-[2-(3-aminophenoxy)ethyl]-1-propylpyrrole-2-carboxamide
CID 63237364
3-[2-[2-(2-propan-2-ylimidazol-1-yl)propanoylamino]ethoxy]benzoic acid
CID 121498392
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070
(2S)-N-[(2R)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
CID 96541424
2-(6-oxopyridazin-1-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 121079751
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide (CID 63237279) is N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NCCOc1cccc(N)c1)n1cccn1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is GFLHPVRAGRTTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(18-8-3-6-17-18)14(19)16-7-9-20-13-5-2-4-12(15)10-13/h2-6,8,10-11H,7,9,15H2,1H3,(H,16,19).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide?
N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 63237279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).