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

C13H15N3O3 — CID 137487673

IUPAC5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid
SMILESO=C(O)CCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C13H15N3O3/c17-13(18)3-1-2-8-19-10-4-5-11(14-9-10)12-6-7-15-16-12/h4-7,9H,1-3,8H2,(H,15,16)(H,17,18)
InChIKeyMZJLUDLXJNEHIX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.11
Rot. Bonds7

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

5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid (PubChem CID 137487673) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid.

Molecular Properties

Compound Name5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid
PubChem CID137487673
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid
SMILESO=C(O)CCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C13H15N3O3/c17-13(18)3-1-2-8-19-10-4-5-11(14-9-10)12-6-7-15-16-12/h4-7,9H,1-3,8H2,(H,15,16)(H,17,18)
InChIKeyMZJLUDLXJNEHIX-UHFFFAOYSA-N
XLogP2.11
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.11
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 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid?
The IUPAC name of 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid (CID 137487673) is 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid.
What is the SMILES notation for 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid?
The canonical SMILES for 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid is O=C(O)CCCCOc1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid?
The InChIKey is MZJLUDLXJNEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13(18)3-1-2-8-19-10-4-5-11(14-9-10)12-6-7-15-16-12/h4-7,9H,1-3,8H2,(H,15,16)(H,17,18).
What are the key properties of 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid?
5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]pentanoic acid is sourced from PubChem (CID 137487673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).