4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid

C16H21N3O3 — CID 142526800

IUPAC4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
SMILESCC(C)(CCOc1ccc(-c2ccn[nH]2)nc1)CCC(=O)O
InChIInChI=1S/C16H21N3O3/c1-16(2,7-5-15(20)21)8-10-22-12-3-4-13(17-11-12)14-6-9-18-19-14/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIJYKYTRUUCTKRG-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.13
Rot. Bonds8

About 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid

4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid (PubChem CID 142526800) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
PubChem CID142526800
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
SMILESCC(C)(CCOc1ccc(-c2ccn[nH]2)nc1)CCC(=O)O
InChIInChI=1S/C16H21N3O3/c1-16(2,7-5-15(20)21)8-10-22-12-3-4-13(17-11-12)14-6-9-18-19-14/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIJYKYTRUUCTKRG-UHFFFAOYSA-N
XLogP3.13
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid (CID 142526800) is 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid is CC(C)(CCOc1ccc(-c2ccn[nH]2)nc1)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid?
The InChIKey is IJYKYTRUUCTKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,7-5-15(20)21)8-10-22-12-3-4-13(17-11-12)14-6-9-18-19-14/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid?
4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid has a molecular weight of 303.36 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 142526800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).