3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid

C17H13ClN2O3 — CID 68927422

IUPAC3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C17H13ClN2O3/c1-23-16-12(17(21)22)7-9-14-15(16)13(19-20-14)8-4-10-2-5-11(18)6-3-10/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyBMGRTHQMRWMQQC-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.09
Rot. Bonds4

About 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid

3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (PubChem CID 68927422) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
PubChem CID68927422
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C17H13ClN2O3/c1-23-16-12(17(21)22)7-9-14-15(16)13(19-20-14)8-4-10-2-5-11(18)6-3-10/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyBMGRTHQMRWMQQC-UHFFFAOYSA-N
XLogP4.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 91176039
3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68936436
2-amino-3-[3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-yl]-3-oxopropanoic acid
CID 68928279
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68932447
3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid
CID 68930611
3-[2-(4-fluorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628047
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(2-iminoethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 142836253
3-[2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90963822
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
CID 72628015
N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90916059
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-indazole-5-carboxamide
CID 59796966

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (CID 68927422) is 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is COc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc(Cl)cc3)c12.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The InChIKey is BMGRTHQMRWMQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-16-12(17(21)22)7-9-14-15(16)13(19-20-14)8-4-10-2-5-11(18)6-3-10/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid has a molecular weight of 328.76 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 68927422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).