3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid

C13H10FN3O2 — CID 115107817

IUPAC3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESCn1c(-c2cc(C(=O)O)[nH]n2)cc2cc(F)ccc21
InChIInChI=1S/C13H10FN3O2/c1-17-11-3-2-8(14)4-7(11)5-12(17)9-6-10(13(18)19)16-15-9/h2-6H,1H3,(H,15,16)(H,18,19)
InChIKeySTOPAYZJYAKOFE-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.41
Rot. Bonds2

About 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid

3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 115107817) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID115107817
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESCn1c(-c2cc(C(=O)O)[nH]n2)cc2cc(F)ccc21
InChIInChI=1S/C13H10FN3O2/c1-17-11-3-2-8(14)4-7(11)5-12(17)9-6-10(13(18)19)16-15-9/h2-6H,1H3,(H,15,16)(H,18,19)
InChIKeySTOPAYZJYAKOFE-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

3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 115107688
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288
3-(5-fluoro-2-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117383381
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(1-methylindazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117357222
(5-fluoro-1-methylindol-2-yl)-trimethylsilane
CID 177390478
3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
CID 83859983
5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115108043
5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 131874849
3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108534
5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110214

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid (CID 115107817) is 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid is Cn1c(-c2cc(C(=O)O)[nH]n2)cc2cc(F)ccc21.
What is the InChIKey of 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is STOPAYZJYAKOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c1-17-11-3-2-8(14)4-7(11)5-12(17)9-6-10(13(18)19)16-15-9/h2-6H,1H3,(H,15,16)(H,18,19).
What are the key properties of 3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid?
3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-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-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115107817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).