2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate

C13H15N3O3 — CID 61494607

IUPAC2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate
SMILESNc1ccc(OCC(=O)OCCn2cccn2)cc1
InChIInChI=1S/C13H15N3O3/c14-11-2-4-12(5-3-11)19-10-13(17)18-9-8-16-7-1-6-15-16/h1-7H,8-10,14H2
InChIKeyYNJZEDCPYWYKSR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.09
Rot. Bonds6

About 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate

2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate (PubChem CID 61494607) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate
PubChem CID61494607
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate
SMILESNc1ccc(OCC(=O)OCCn2cccn2)cc1
InChIInChI=1S/C13H15N3O3/c14-11-2-4-12(5-3-11)19-10-13(17)18-9-8-16-7-1-6-15-16/h1-7H,8-10,14H2
InChIKeyYNJZEDCPYWYKSR-UHFFFAOYSA-N
XLogP1.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.09
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'}

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Related Compounds

4-(4-{[(4-nitrophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507065
4-{4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}butanoic acid
CID 6457824
N-{4-[2-hydroxy-3-(1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 6499769
4-((1-methyl-1H-pyrazol-4-yl)oxy)aniline
CID 69194299
N-(4-ethoxyphenyl)-2-(4-iodo-1H-pyrazol-1-yl)acetamide
CID 1512410
N-(4-ethoxyphenyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026432
2-[3-(Pyrazol-1-ylmethyl)phenoxy]acetamide
CID 71996952
3-fluoro-4-((1-methyl-1H-pyrazol-4-yl)methoxy)aniline
CID 19627211
2-[(1-ethyl-1H-pyrazol-5-yl)methoxy]aniline
CID 50896804
1-(4-phenoxyphenyl)-1H-pyrazole
CID 18326720
1-[4-(2-Bromoethoxy)phenyl]pyrazole
CID 89501624
1-(2-(allyloxy)phenyl)-1H-pyrazole
CID 90286600

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate?
The IUPAC name of 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate (CID 61494607) is 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate?
The canonical SMILES for 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate is Nc1ccc(OCC(=O)OCCn2cccn2)cc1.
What is the InChIKey of 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate?
The InChIKey is YNJZEDCPYWYKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-11-2-4-12(5-3-11)19-10-13(17)18-9-8-16-7-1-6-15-16/h1-7H,8-10,14H2.
What are the key properties of 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate?
2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate has a molecular weight of 261.28 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate is sourced from PubChem (CID 61494607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).