3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid

C16H14N2O3 — CID 170838850

IUPAC3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
SMILESCCOc1cccc(-c2n[nH]c3cc(C(=O)O)ccc23)c1
InChIInChI=1S/C16H14N2O3/c1-2-21-12-5-3-4-10(8-12)15-13-7-6-11(16(19)20)9-14(13)17-18-15/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyJDOVWLHYOMXOLZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.33
Rot. Bonds4

About 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid

3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid (PubChem CID 170838850) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
PubChem CID170838850
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
SMILESCCOc1cccc(-c2n[nH]c3cc(C(=O)O)ccc23)c1
InChIInChI=1S/C16H14N2O3/c1-2-21-12-5-3-4-10(8-12)15-13-7-6-11(16(19)20)9-14(13)17-18-15/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyJDOVWLHYOMXOLZ-UHFFFAOYSA-N
XLogP3.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 11622972
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218370
3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
CID 39220248
3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218901
3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
CID 82445963
N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 166629921
4-[(Z)-[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
CID 5437533
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
CID 39220149
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide
CID 143349905

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid (CID 170838850) is 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid is CCOc1cccc(-c2n[nH]c3cc(C(=O)O)ccc23)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid?
The InChIKey is JDOVWLHYOMXOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-21-12-5-3-4-10(8-12)15-13-7-6-11(16(19)20)9-14(13)17-18-15/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid?
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 170838850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).