6-indazol-1-yl-2,2-dimethylhexanoic acid

C15H20N2O2 — CID 106714165

IUPAC6-indazol-1-yl-2,2-dimethylhexanoic acid
SMILESCC(C)(CCCCn1ncc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-15(2,14(18)19)9-5-6-10-17-13-8-4-3-7-12(13)11-16-17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19)
InChIKeyGQTCAXSBNAJOPL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.32
Rot. Bonds6

About 6-indazol-1-yl-2,2-dimethylhexanoic acid

6-indazol-1-yl-2,2-dimethylhexanoic acid (PubChem CID 106714165) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-indazol-1-yl-2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name6-indazol-1-yl-2,2-dimethylhexanoic acid
PubChem CID106714165
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-indazol-1-yl-2,2-dimethylhexanoic acid
SMILESCC(C)(CCCCn1ncc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-15(2,14(18)19)9-5-6-10-17-13-8-4-3-7-12(13)11-16-17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19)
InChIKeyGQTCAXSBNAJOPL-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-indazol-1-yl-2-methylbutan-2-ol
CID 79360866
4-indazol-1-ylbutan-1-ol
CID 62142094
4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 62139653
2-amino-5-indazol-1-yl-2-methylpentan-1-ol
CID 64811283
3-indazol-1-ylpropanoic acid
CID 805922
2,2-dimethyl-4-(1-oxophthalazin-2-yl)butanoic acid
CID 65248238
1-(4-chlorobutyl)indazole
CID 62140548
4-(4-bromoindazol-1-yl)-2,2-dimethylbutanoic acid
CID 123594262
1-propylindazole
CID 18695497
3-indazol-1-ylpropanoate
CID 5147223
2-(3-indazol-1-ylpropyl)isoindole-1,3-dione
CID 19914595
2,2-dimethyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 106714171

Frequently Asked Questions

What is the IUPAC name of 6-indazol-1-yl-2,2-dimethylhexanoic acid?
The IUPAC name of 6-indazol-1-yl-2,2-dimethylhexanoic acid (CID 106714165) is 6-indazol-1-yl-2,2-dimethylhexanoic acid.
What is the SMILES notation for 6-indazol-1-yl-2,2-dimethylhexanoic acid?
The canonical SMILES for 6-indazol-1-yl-2,2-dimethylhexanoic acid is CC(C)(CCCCn1ncc2ccccc21)C(=O)O.
What is the InChIKey of 6-indazol-1-yl-2,2-dimethylhexanoic acid?
The InChIKey is GQTCAXSBNAJOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,14(18)19)9-5-6-10-17-13-8-4-3-7-12(13)11-16-17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 6-indazol-1-yl-2,2-dimethylhexanoic acid?
6-indazol-1-yl-2,2-dimethylhexanoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indazol-1-yl-2,2-dimethylhexanoic acid is sourced from PubChem (CID 106714165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).