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

C14H17N3O3 — CID 142527040

IUPAC6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C14H17N3O3/c18-14(19)4-2-1-3-9-20-11-5-6-12(15-10-11)13-7-8-16-17-13/h5-8,10H,1-4,9H2,(H,16,17)(H,18,19)
InChIKeyICWUAABEXSQMGT-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.50
Rot. Bonds8

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

6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid (PubChem CID 142527040) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
PubChem CID142527040
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C14H17N3O3/c18-14(19)4-2-1-3-9-20-11-5-6-12(15-10-11)13-7-8-16-17-13/h5-8,10H,1-4,9H2,(H,16,17)(H,18,19)
InChIKeyICWUAABEXSQMGT-UHFFFAOYSA-N
XLogP2.50
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.50
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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Related Compounds

4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526977
1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid
CID 137487702
4-[(2R)-2-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]cyclohexyl]butan-2-one
CID 130360220
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
2,2-bis(methoxymethyl)-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanenitrile
CID 155658275
4-phenoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butan-1-one
CID 155790747
2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
CID 142526512
9-phenoxynonanoic acid
CID 15887638
2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526497
4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid
CID 142770731
1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
CID 155790767
4-(7-carboxyheptoxy)benzoic acid
CID 54128004

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid (CID 142527040) is 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid is O=C(O)CCCCCOc1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid?
The InChIKey is ICWUAABEXSQMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(19)4-2-1-3-9-20-11-5-6-12(15-10-11)13-7-8-16-17-13/h5-8,10H,1-4,9H2,(H,16,17)(H,18,19).
What are the key properties of 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid?
6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 142527040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).