9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid

C17H23N3O3 — CID 154931116

IUPAC9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid
SMILESO=C(O)CCCCCCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C17H23N3O3/c21-17(22)7-5-3-1-2-4-6-12-23-14-8-9-15(18-13-14)16-10-11-19-20-16/h8-11,13H,1-7,12H2,(H,19,20)(H,21,22)
InChIKeyMDNSZSBZPSMWLF-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.67
Rot. Bonds11

About 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid

9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid (PubChem CID 154931116) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid.

Molecular Properties

Compound Name9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid
PubChem CID154931116
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid
SMILESO=C(O)CCCCCCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C17H23N3O3/c21-17(22)7-5-3-1-2-4-6-12-23-14-8-9-15(18-13-14)16-10-11-19-20-16/h8-11,13H,1-7,12H2,(H,19,20)(H,21,22)
InChIKeyMDNSZSBZPSMWLF-UHFFFAOYSA-N
XLogP3.67
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.67
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 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid?
The IUPAC name of 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid (CID 154931116) is 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid.
What is the SMILES notation for 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid?
The canonical SMILES for 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid is O=C(O)CCCCCCCCOc1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid?
The InChIKey is MDNSZSBZPSMWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(22)7-5-3-1-2-4-6-12-23-14-8-9-15(18-13-14)16-10-11-19-20-16/h8-11,13H,1-7,12H2,(H,19,20)(H,21,22).
What are the key properties of 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid?
9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid has a molecular weight of 317.39 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nonanoic acid is sourced from PubChem (CID 154931116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).