ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate

C20H20FN3O3 — CID 142526950

IUPACethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cccc(COc2cnc(-c3ccn[nH]3)c(F)c2)c1
InChIInChI=1S/C20H20FN3O3/c1-2-26-19(25)7-6-14-4-3-5-15(10-14)13-27-16-11-17(21)20(22-12-16)18-8-9-23-24-18/h3-5,8-12H,2,6-7,13H2,1H3,(H,23,24)
InChIKeyWXQQJUZNTDXVMJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.69
Rot. Bonds8

About ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate

ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate (PubChem CID 142526950) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate
PubChem CID142526950
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Nameethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cccc(COc2cnc(-c3ccn[nH]3)c(F)c2)c1
InChIInChI=1S/C20H20FN3O3/c1-2-26-19(25)7-6-14-4-3-5-15(10-14)13-27-16-11-17(21)20(22-12-16)18-8-9-23-24-18/h3-5,8-12H,2,6-7,13H2,1H3,(H,23,24)
InChIKeyWXQQJUZNTDXVMJ-UHFFFAOYSA-N
XLogP3.69
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-2-fluorophenyl]propanoate
CID 51349730
ethyl 3-[3-fluoro-4-[[3-(4-fluorophenoxy)phenyl]methoxy]phenyl]propanoate
CID 23136301
ethyl (E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoate
CID 142527004
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
CID 152802846
ethyl 3-[3,5-difluoro-4-[[3-(2-methylpropoxy)phenyl]methoxy]phenyl]propanoate
CID 23136278
ethyl 3-hydroxy-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclobutane-1-carboxylate
CID 146658371
ethyl 3-[4-[[3-(4-chlorophenoxy)phenyl]methoxy]-3,5-difluorophenyl]propanoate
CID 23136377
5-[(3-methylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360604
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoate
CID 19962355

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate (CID 142526950) is ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate is CCOC(=O)CCc1cccc(COc2cnc(-c3ccn[nH]3)c(F)c2)c1.
What is the InChIKey of ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate?
The InChIKey is WXQQJUZNTDXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-2-26-19(25)7-6-14-4-3-5-15(10-14)13-27-16-11-17(21)20(22-12-16)18-8-9-23-24-18/h3-5,8-12H,2,6-7,13H2,1H3,(H,23,24).
What are the key properties of ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate?
ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate has a molecular weight of 369.40 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoate is sourced from PubChem (CID 142526950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).