ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate

C19H18N2O4 — CID 71739294

IUPACethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(O)c(-c2cn[nH]c2-c2ccccc2)c1
InChIInChI=1S/C19H18N2O4/c1-2-24-18(23)12-25-14-8-9-17(22)15(10-14)16-11-20-21-19(16)13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3,(H,20,21)
InChIKeyOUIQTOUOBSADMK-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.39
Rot. Bonds6

About ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate

ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate (PubChem CID 71739294) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate
PubChem CID71739294
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(O)c(-c2cn[nH]c2-c2ccccc2)c1
InChIInChI=1S/C19H18N2O4/c1-2-24-18(23)12-25-14-8-9-17(22)15(10-14)16-11-20-21-19(16)13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3,(H,20,21)
InChIKeyOUIQTOUOBSADMK-UHFFFAOYSA-N
XLogP3.39
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-hydroxy-3-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]phenoxy]acetamide
CID 127254692
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135713335
ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate
CID 18415841
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830
ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
CID 13400689
4,5-diphenyl-1H-pyrazole;triethyl phosphate
CID 175485113
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
(4S)-2-[4-(2-ethoxy-2-oxoethoxy)-2-hydroxyphenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 137053593
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate (CID 71739294) is ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate is CCOC(=O)COc1ccc(O)c(-c2cn[nH]c2-c2ccccc2)c1.
What is the InChIKey of ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate?
The InChIKey is OUIQTOUOBSADMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-24-18(23)12-25-14-8-9-17(22)15(10-14)16-11-20-21-19(16)13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate?
ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate has a molecular weight of 338.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate is sourced from PubChem (CID 71739294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).