ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate

C13H14N2O3 — CID 117367533

IUPACethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
SMILESCCOC(=O)C(O)c1ccccc1-n1cccn1
InChIInChI=1S/C13H14N2O3/c1-2-18-13(17)12(16)10-6-3-4-7-11(10)15-9-5-8-14-15/h3-9,12,16H,2H2,1H3
InChIKeyZIXJGCNHODCNOK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.47
Rot. Bonds4

About ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate

ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate (PubChem CID 117367533) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
PubChem CID117367533
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
SMILESCCOC(=O)C(O)c1ccccc1-n1cccn1
InChIInChI=1S/C13H14N2O3/c1-2-18-13(17)12(16)10-6-3-4-7-11(10)15-9-5-8-14-15/h3-9,12,16H,2H2,1H3
InChIKeyZIXJGCNHODCNOK-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-hydroxy-2-[2-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117369882
(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
CID 96762406
diethyl 2-(5-chloro-2-pyrazol-1-ylphenyl)propanedioate
CID 71723825
ethyl 3-pyrazol-1-ylpyridine-2-carboxylate
CID 141444753
2-ethoxy-6-pyrazol-1-ylbenzoic acid
CID 150534802
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
CID 117379559
ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate
CID 117468952
diethyl 2-(1-pyrazol-1-ylnaphthalen-2-yl)propanedioate
CID 71723968
ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
CID 117352981
N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 43284732
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate (CID 117367533) is ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate is CCOC(=O)C(O)c1ccccc1-n1cccn1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate?
The InChIKey is ZIXJGCNHODCNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-18-13(17)12(16)10-6-3-4-7-11(10)15-9-5-8-14-15/h3-9,12,16H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate?
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate has a molecular weight of 246.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate is sourced from PubChem (CID 117367533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).