2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid

C13H16N2O3 — CID 150709122

IUPAC2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
SMILESCC(C)(O)CCn1cc2ccc(C(=O)O)cc2n1
InChIInChI=1S/C13H16N2O3/c1-13(2,18)5-6-15-8-10-4-3-9(12(16)17)7-11(10)14-15/h3-4,7-8,18H,5-6H2,1-2H3,(H,16,17)
InChIKeyJNMRNRIZWMOLAS-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.90
Rot. Bonds4

About 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid

2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid (PubChem CID 150709122) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
PubChem CID150709122
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
SMILESCC(C)(O)CCn1cc2ccc(C(=O)O)cc2n1
InChIInChI=1S/C13H16N2O3/c1-13(2,18)5-6-15-8-10-4-3-9(12(16)17)7-11(10)14-15/h3-4,7-8,18H,5-6H2,1-2H3,(H,16,17)
InChIKeyJNMRNRIZWMOLAS-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide
CID 176659651
2-(2-phenylethyl)indazole-6-carboxylic acid
CID 176884936
2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid
CID 176884945
2-(2-phenylethyl)indazole-5-carboxylic acid
CID 169188070
4-(6-methoxy-5-nitroindazol-2-yl)-2-methylbutan-2-ol
CID 165162318
methyl 2-(3-phenylpropyl)indazole-6-carboxylate
CID 24953212
2-ethyl-N-propylindazole-6-carboxamide
CID 160670510
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide
CID 24953915
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
2-(4-hydroxy-4-methylhex-5-enyl)-6-propan-2-yloxyindazole-5-carboxylic acid
CID 167288537
methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate
CID 169188076

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid (CID 150709122) is 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid is CC(C)(O)CCn1cc2ccc(C(=O)O)cc2n1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid?
The InChIKey is JNMRNRIZWMOLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,18)5-6-15-8-10-4-3-9(12(16)17)7-11(10)14-15/h3-4,7-8,18H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid?
2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid is sourced from PubChem (CID 150709122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).