3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid

C15H12N2O3 — CID 22260645

IUPAC3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid
SMILESCOc1cccc(-c2n[nH]c3ccc(C(=O)O)cc23)c1
InChIInChI=1S/C15H12N2O3/c1-20-11-4-2-3-9(7-11)14-12-8-10(15(18)19)5-6-13(12)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyWVAUJZHSESDBGZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.94
Rot. Bonds3

About 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid

3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid (PubChem CID 22260645) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid
PubChem CID22260645
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid
SMILESCOc1cccc(-c2n[nH]c3ccc(C(=O)O)cc23)c1
InChIInChI=1S/C15H12N2O3/c1-20-11-4-2-3-9(7-11)14-12-8-10(15(18)19)5-6-13(12)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyWVAUJZHSESDBGZ-UHFFFAOYSA-N
XLogP2.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid (CID 22260645) is 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid is COc1cccc(-c2n[nH]c3ccc(C(=O)O)cc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The InChIKey is WVAUJZHSESDBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-11-4-2-3-9(7-11)14-12-8-10(15(18)19)5-6-13(12)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid?
3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 22260645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).