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

C17H13FN2O3 — CID 59797243

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C17H13FN2O3/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)/b8-4+
InChIKeyUGSNJOMKZUJHHT-XBXARRHUSA-N
MW312.30 g/mol
LogP3.58
Rot. Bonds4

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

3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (PubChem CID 59797243) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
PubChem CID59797243
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C17H13FN2O3/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)/b8-4+
InChIKeyUGSNJOMKZUJHHT-XBXARRHUSA-N
XLogP3.58
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
3-benzyl-N-[(4-ethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630325
3-benzyl-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630344
6-hydroxy-N-(3-methoxyphenyl)-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145966299
6-hydroxy-N-(4-methoxyphenyl)-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145967307
(4-butoxy-2H-indazol-5-yl)-(2,6-difluoro-4-methylphenyl)methanone
CID 137629369
N-benzyl-6-hydroxy-3-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630311
3-benzyl-6-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630347
3-benzyl-6-hydroxy-1H-indazole-5-carboxamide
CID 137630340
3-(4-Fluorophenyl)-1H-Indazole-5-Carboxylic Acid
CID 22260722
ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
CID 22479944
3-(4-Methoxyphenyl)-1H-Indazole-5-Carboxamide
CID 22479950

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (CID 59797243) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The InChIKey is UGSNJOMKZUJHHT-XBXARRHUSA-N. The full InChI is InChI=1S/C17H13FN2O3/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)/b8-4+.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid has a molecular weight of 312.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 59797243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).