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

C18H17N3O3 — CID 147145799

IUPAC3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid
SMILESO=C(O)c1cccc(CCCOc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C18H17N3O3/c22-18(23)14-5-1-3-13(11-14)4-2-10-24-15-6-7-16(19-12-15)17-8-9-20-21-17/h1,3,5-9,11-12H,2,4,10H2,(H,20,21)(H,22,23)
InChIKeyBTAJBSYDLZWMAR-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.18
Rot. Bonds7

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

3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid (PubChem CID 147145799) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid.

Molecular Properties

Compound Name3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid
PubChem CID147145799
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid
SMILESO=C(O)c1cccc(CCCOc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C18H17N3O3/c22-18(23)14-5-1-3-13(11-14)4-2-10-24-15-6-7-16(19-12-15)17-8-9-20-21-17/h1,3,5-9,11-12H,2,4,10H2,(H,20,21)(H,22,23)
InChIKeyBTAJBSYDLZWMAR-UHFFFAOYSA-N
XLogP3.18
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]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
3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790625
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
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
US11365192, Example 59-1
CID 142526587

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid?
The IUPAC name of 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid (CID 147145799) is 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid.
What is the SMILES notation for 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid?
The canonical SMILES for 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid is O=C(O)c1cccc(CCCOc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid?
The InChIKey is BTAJBSYDLZWMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(23)14-5-1-3-13(11-14)4-2-10-24-15-6-7-16(19-12-15)17-8-9-20-21-17/h1,3,5-9,11-12H,2,4,10H2,(H,20,21)(H,22,23).
What are the key properties of 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid?
3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid has a molecular weight of 323.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]benzoic acid is sourced from PubChem (CID 147145799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).