7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid

C15H19N3O3 — CID 142526524

IUPAC7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid
SMILESO=C(O)CCCCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C15H19N3O3/c19-15(20)5-3-1-2-4-10-21-12-6-7-13(16-11-12)14-8-9-17-18-14/h6-9,11H,1-5,10H2,(H,17,18)(H,19,20)
InChIKeySJPWIHXZXKUMJP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.89
Rot. Bonds9

About 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid

7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid (PubChem CID 142526524) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid.

Molecular Properties

Compound Name7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid
PubChem CID142526524
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid
SMILESO=C(O)CCCCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C15H19N3O3/c19-15(20)5-3-1-2-4-10-21-12-6-7-13(16-11-12)14-8-9-17-18-14/h6-9,11H,1-5,10H2,(H,17,18)(H,19,20)
InChIKeySJPWIHXZXKUMJP-UHFFFAOYSA-N
XLogP2.89
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.89
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 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid?
The IUPAC name of 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid (CID 142526524) is 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid.
What is the SMILES notation for 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid?
The canonical SMILES for 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid is O=C(O)CCCCCCOc1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid?
The InChIKey is SJPWIHXZXKUMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-15(20)5-3-1-2-4-10-21-12-6-7-13(16-11-12)14-8-9-17-18-14/h6-9,11H,1-5,10H2,(H,17,18)(H,19,20).
What are the key properties of 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid?
7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]heptanoic acid is sourced from PubChem (CID 142526524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).