3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid

C13H10FN3O2 — CID 136985983

IUPAC3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2c[nH]c3ccc(F)cc23)cc1C(=O)O
InChIInChI=1S/C13H10FN3O2/c1-17-12(13(18)19)5-11(16-17)9-6-15-10-3-2-7(14)4-8(9)10/h2-6,15H,1H3,(H,18,19)
InChIKeyZQEQSQLGGACSMG-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.41
Rot. Bonds2

About 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid

3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 136985983) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID136985983
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2c[nH]c3ccc(F)cc23)cc1C(=O)O
InChIInChI=1S/C13H10FN3O2/c1-17-12(13(18)19)5-11(16-17)9-6-15-10-3-2-7(14)4-8(9)10/h2-6,15H,1H3,(H,18,19)
InChIKeyZQEQSQLGGACSMG-UHFFFAOYSA-N
XLogP2.41
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
CID 136985979
3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985610
3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 82385944
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
3-(5-fluoro-1H-indol-3-yl)benzamide
CID 141029269
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82488597
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
3-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667
1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830
1-tert-butyl-3,4-bis(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149580
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid (CID 136985983) is 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid is Cn1nc(-c2c[nH]c3ccc(F)cc23)cc1C(=O)O.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is ZQEQSQLGGACSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c1-17-12(13(18)19)5-11(16-17)9-6-15-10-3-2-7(14)4-8(9)10/h2-6,15H,1H3,(H,18,19).
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid?
3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 259.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 136985983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).