4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid

C17H15N3O3 — CID 146995880

IUPAC4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCOc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C17H15N3O3/c21-17(22)13-3-1-12(2-4-13)8-10-23-14-5-6-15(18-11-14)16-7-9-19-20-16/h1-7,9,11H,8,10H2,(H,19,20)(H,21,22)
InChIKeyARBRPILVBVFVPL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.79
Rot. Bonds6

About 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid

4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid (PubChem CID 146995880) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid
PubChem CID146995880
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCOc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C17H15N3O3/c21-17(22)13-3-1-12(2-4-13)8-10-23-14-5-6-15(18-11-14)16-7-9-19-20-16/h1-7,9,11H,8,10H2,(H,19,20)(H,21,22)
InChIKeyARBRPILVBVFVPL-UHFFFAOYSA-N
XLogP2.79
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid with MolForge

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Related Compounds

6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790621
3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790625
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
(E)-3-(2-((4-methylbenzyl)oxy)phenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6866659
3-[1-[(4-fluorophenyl)methyl]-4-[4-(4-phenylbutoxy)phenyl]pyrrol-3-yl]-1H-pyrazole-5-carboxylic acid
CID 156017350
4-(4-fluorophenyl)-5-((1-methyl-1H-pyrazol-4-yl)methoxy)picolinamide
CID 122539778
US11365192, Example 70-2
CID 137487714
US11365192, Example 43-1
CID 137487865
US11365192, Example 74-9
CID 137487897
US11365192, Example 11-1
CID 142526519

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid (CID 146995880) is 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid is O=C(O)c1ccc(CCOc2ccc(-c3ccn[nH]3)nc2)cc1.
What is the InChIKey of 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid?
The InChIKey is ARBRPILVBVFVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17(22)13-3-1-12(2-4-13)8-10-23-14-5-6-15(18-11-14)16-7-9-19-20-16/h1-7,9,11H,8,10H2,(H,19,20)(H,21,22).
What are the key properties of 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid?
4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]benzoic acid is sourced from PubChem (CID 146995880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).