2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate

C14H17N3O3 — CID 61495027

IUPAC2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCCn2cccn2)cc1
InChIInChI=1S/C14H17N3O3/c15-12-2-4-13(5-3-12)19-10-6-14(18)20-11-9-17-8-1-7-16-17/h1-5,7-8H,6,9-11,15H2
InChIKeyYDUSBTYZZXHLQE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.48
Rot. Bonds7

About 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate

2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate (PubChem CID 61495027) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate
PubChem CID61495027
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCCn2cccn2)cc1
InChIInChI=1S/C14H17N3O3/c15-12-2-4-13(5-3-12)19-10-6-14(18)20-11-9-17-8-1-7-16-17/h1-5,7-8H,6,9-11,15H2
InChIKeyYDUSBTYZZXHLQE-UHFFFAOYSA-N
XLogP1.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate 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-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate
CID 61494607
2-hydroxyethyl 3-pyrazol-1-ylpropanoate
CID 54088035
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate
CID 71881223
N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104
1-(3-phenoxypropyl)pyrazole
CID 55028379
2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 47069511
2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
CID 106203637
3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290
(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate
CID 79263644
ethyl 1-[2-(4-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81498880

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate?
The IUPAC name of 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate (CID 61495027) is 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate?
The canonical SMILES for 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate is Nc1ccc(OCCC(=O)OCCn2cccn2)cc1.
What is the InChIKey of 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate?
The InChIKey is YDUSBTYZZXHLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-12-2-4-13(5-3-12)19-10-6-14(18)20-11-9-17-8-1-7-16-17/h1-5,7-8H,6,9-11,15H2.
What are the key properties of 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate?
2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate has a molecular weight of 275.31 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate is sourced from PubChem (CID 61495027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).