1-(4-methoxyphenyl)indazole-3-carboxylic acid

C15H12N2O3 — CID 139220423

IUPAC1-(4-methoxyphenyl)indazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C15H12N2O3/c1-20-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(16-17)15(18)19/h2-9H,1H3,(H,18,19)
InChIKeyVVZTTWDLVBGXSF-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-methoxyphenyl)indazole-3-carboxylic acid

1-(4-methoxyphenyl)indazole-3-carboxylic acid (PubChem CID 139220423) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)indazole-3-carboxylic acid
PubChem CID139220423
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-(4-methoxyphenyl)indazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C15H12N2O3/c1-20-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(16-17)15(18)19/h2-9H,1H3,(H,18,19)
InChIKeyVVZTTWDLVBGXSF-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
6-[1-[Ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid
CID 146627034
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanoic acid
CID 10320262
3-[1-(4-Methoxy-phenyl)-5-p-tolyl-1h-pyrazol-3-yl]-2-m-tolyl-propionic acid
CID 22171037
5-(4-Ethoxyphenyl)-1-(4-phenoxyphenyl)pyrazole-3-carboxylic acid
CID 127047005
1-(4-Phenoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid
CID 127047006
methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
CID 17859014
3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-phenylpropanoic acid
CID 44444777
Methyl 1-benzoylindazole-3-carboxylate
CID 53357861
2,2,2-Trifluoroethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate
CID 56663154
Ethyl 1-(3-methoxybenzoyl)indazole-3-carboxylate
CID 56673430

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)indazole-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)indazole-3-carboxylic acid (CID 139220423) is 1-(4-methoxyphenyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)indazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)indazole-3-carboxylic acid?
The InChIKey is VVZTTWDLVBGXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14(16-17)15(18)19/h2-9H,1H3,(H,18,19).
What are the key properties of 1-(4-methoxyphenyl)indazole-3-carboxylic acid?
1-(4-methoxyphenyl)indazole-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)indazole-3-carboxylic acid is sourced from PubChem (CID 139220423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).