2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid

C20H29N3O3 — CID 148976162

IUPAC2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid
SMILESCC(C)(CCCCCCCCOc1ccc(-c2ccn[nH]2)nc1)C(=O)O
InChIInChI=1S/C20H29N3O3/c1-20(2,19(24)25)12-7-5-3-4-6-8-14-26-16-9-10-17(21-15-16)18-11-13-22-23-18/h9-11,13,15H,3-8,12,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyPUVOFSHIGCWIQO-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.69
Rot. Bonds12

About 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid

2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid (PubChem CID 148976162) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid
PubChem CID148976162
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid
SMILESCC(C)(CCCCCCCCOc1ccc(-c2ccn[nH]2)nc1)C(=O)O
InChIInChI=1S/C20H29N3O3/c1-20(2,19(24)25)12-7-5-3-4-6-8-14-26-16-9-10-17(21-15-16)18-11-13-22-23-18/h9-11,13,15H,3-8,12,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyPUVOFSHIGCWIQO-UHFFFAOYSA-N
XLogP4.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid?
The IUPAC name of 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid (CID 148976162) is 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid.
What is the SMILES notation for 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid?
The canonical SMILES for 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid is CC(C)(CCCCCCCCOc1ccc(-c2ccn[nH]2)nc1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid?
The InChIKey is PUVOFSHIGCWIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,19(24)25)12-7-5-3-4-6-8-14-26-16-9-10-17(21-15-16)18-11-13-22-23-18/h9-11,13,15H,3-8,12,14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid?
2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid has a molecular weight of 359.47 g/mol, XLogP of 4.69, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanoic acid is sourced from PubChem (CID 148976162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).