3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid

C13H10FN3O2 — CID 136985610

IUPAC3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2cc3ccc(F)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C13H10FN3O2/c1-17-12(13(18)19)6-11(16-17)10-4-7-2-3-8(14)5-9(7)15-10/h2-6,15H,1H3,(H,18,19)
InChIKeyCEJAYMVWPSXIRP-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.41
Rot. Bonds2

About 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid

3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 136985610) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID136985610
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2cc3ccc(F)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C13H10FN3O2/c1-17-12(13(18)19)6-11(16-17)10-4-7-2-3-8(14)5-9(7)15-10/h2-6,15H,1H3,(H,18,19)
InChIKeyCEJAYMVWPSXIRP-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-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667
2-(6-fluoro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113883
3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985983
2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol
CID 136985621
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
3-(5-fluoro-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985646
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451
5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110161
1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 13370512
3-[2-(3,5-difluoroanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylic acid
CID 163218205
2-chloro-1-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanone
CID 134085993
3-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 140673910

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid (CID 136985610) is 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid is Cn1nc(-c2cc3ccc(F)cc3[nH]2)cc1C(=O)O.
What is the InChIKey of 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is CEJAYMVWPSXIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c1-17-12(13(18)19)6-11(16-17)10-4-7-2-3-8(14)5-9(7)15-10/h2-6,15H,1H3,(H,18,19).
What are the key properties of 3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid?
3-(6-fluoro-1H-indol-2-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-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 136985610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).