10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid

C18H25N3O3 — CID 147938201

IUPAC10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid
SMILESO=C(O)CCCCCCCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C18H25N3O3/c22-18(23)8-6-4-2-1-3-5-7-13-24-15-9-10-16(19-14-15)17-11-12-20-21-17/h9-12,14H,1-8,13H2,(H,20,21)(H,22,23)
InChIKeyILFGGYOGUTYDBS-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.06
Rot. Bonds12

About 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid

10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid (PubChem CID 147938201) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid.

Molecular Properties

Compound Name10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid
PubChem CID147938201
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid
SMILESO=C(O)CCCCCCCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C18H25N3O3/c22-18(23)8-6-4-2-1-3-5-7-13-24-15-9-10-16(19-14-15)17-11-12-20-21-17/h9-12,14H,1-8,13H2,(H,20,21)(H,22,23)
InChIKeyILFGGYOGUTYDBS-UHFFFAOYSA-N
XLogP4.06
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid?
The IUPAC name of 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid (CID 147938201) is 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid.
What is the SMILES notation for 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid?
The canonical SMILES for 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid is O=C(O)CCCCCCCCCOc1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid?
The InChIKey is ILFGGYOGUTYDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-18(23)8-6-4-2-1-3-5-7-13-24-15-9-10-16(19-14-15)17-11-12-20-21-17/h9-12,14H,1-8,13H2,(H,20,21)(H,22,23).
What are the key properties of 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid?
10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid has a molecular weight of 331.42 g/mol, XLogP of 4.06, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid is sourced from PubChem (CID 147938201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).