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

C19H19N3O3 — CID 147586711

IUPAC4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid
SMILESO=C(O)c1ccc(CCCCOc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C19H19N3O3/c23-19(24)15-6-4-14(5-7-15)3-1-2-12-25-16-8-9-17(20-13-16)18-10-11-21-22-18/h4-11,13H,1-3,12H2,(H,21,22)(H,23,24)
InChIKeyFXMBRPJWJYYWGG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.57
Rot. Bonds8

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

4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid (PubChem CID 147586711) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid
PubChem CID147586711
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid
SMILESO=C(O)c1ccc(CCCCOc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C19H19N3O3/c23-19(24)15-6-4-14(5-7-15)3-1-2-12-25-16-8-9-17(20-13-16)18-10-11-21-22-18/h4-11,13H,1-3,12H2,(H,21,22)(H,23,24)
InChIKeyFXMBRPJWJYYWGG-UHFFFAOYSA-N
XLogP3.57
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
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
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-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid?
The IUPAC name of 4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid (CID 147586711) is 4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid.
What is the SMILES notation for 4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid?
The canonical SMILES for 4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid is O=C(O)c1ccc(CCCCOc2ccc(-c3ccn[nH]3)nc2)cc1.
What is the InChIKey of 4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid?
The InChIKey is FXMBRPJWJYYWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(24)15-6-4-14(5-7-15)3-1-2-12-25-16-8-9-17(20-13-16)18-10-11-21-22-18/h4-11,13H,1-3,12H2,(H,21,22)(H,23,24).
What are the key properties of 4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid?
4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]butyl]benzoic acid is sourced from PubChem (CID 147586711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).