3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid

C17H15N3O3 — CID 129198314

IUPAC3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid
SMILESC=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C17H15N3O3/c1-10(18-12-4-6-13(23-2)7-5-12)16-14-9-11(17(21)22)3-8-15(14)19-20-16/h3-9,18H,1H2,2H3,(H,19,20)(H,21,22)
InChIKeyWJSCPRFRIUMWIY-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.35
Rot. Bonds5

About 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid

3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid (PubChem CID 129198314) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid
PubChem CID129198314
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid
SMILESC=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C17H15N3O3/c1-10(18-12-4-6-13(23-2)7-5-12)16-14-9-11(17(21)22)3-8-15(14)19-20-16/h3-9,18H,1H2,2H3,(H,19,20)(H,21,22)
InChIKeyWJSCPRFRIUMWIY-UHFFFAOYSA-N
XLogP3.35
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid (CID 129198314) is 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid is C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid?
The InChIKey is WJSCPRFRIUMWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10(18-12-4-6-13(23-2)7-5-12)16-14-9-11(17(21)22)3-8-15(14)19-20-16/h3-9,18H,1H2,2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid?
3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 129198314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).