4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid

C15H12N2O3S — CID 59796910

IUPAC4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2n[nH]c(/C=C/c3cccs3)c12
InChIInChI=1S/C15H12N2O3S/c1-20-14-10(15(18)19)5-7-12-13(14)11(16-17-12)6-4-9-3-2-8-21-9/h2-8H,1H3,(H,16,17)(H,18,19)/b6-4+
InChIKeyFXLZQQIWOWFCOQ-GQCTYLIASA-N
MW300.34 g/mol
LogP3.50
Rot. Bonds4

About 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid

4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 59796910) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid
PubChem CID59796910
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2n[nH]c(/C=C/c3cccs3)c12
InChIInChI=1S/C15H12N2O3S/c1-20-14-10(15(18)19)5-7-12-13(14)11(16-17-12)6-4-9-3-2-8-21-9/h2-8H,1H3,(H,16,17)(H,18,19)/b6-4+
InChIKeyFXLZQQIWOWFCOQ-GQCTYLIASA-N
XLogP3.50
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid (CID 59796910) is 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid is COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3cccs3)c12.
What is the InChIKey of 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid?
The InChIKey is FXLZQQIWOWFCOQ-GQCTYLIASA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-20-14-10(15(18)19)5-7-12-13(14)11(16-17-12)6-4-9-3-2-8-21-9/h2-8H,1H3,(H,16,17)(H,18,19)/b6-4+.
What are the key properties of 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid?
4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 59796910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).