5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid

C14H12FN3O2 — CID 115109340

IUPAC5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1cc2ccc(F)cc2n1C
InChIInChI=1S/C14H12FN3O2/c1-17-11-6-9(15)4-3-8(11)5-12(17)13-10(14(19)20)7-16-18(13)2/h3-7H,1-2H3,(H,19,20)
InChIKeyRGWXOZJNHQOVKG-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.42
Rot. Bonds2

About 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid

5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 115109340) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID115109340
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1cc2ccc(F)cc2n1C
InChIInChI=1S/C14H12FN3O2/c1-17-11-6-9(15)4-3-8(11)5-12(17)13-10(14(19)20)7-16-18(13)2/h3-7H,1-2H3,(H,19,20)
InChIKeyRGWXOZJNHQOVKG-UHFFFAOYSA-N
XLogP2.42
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986454
5-(3,5-difluorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 154381214
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
1-methyl-5-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 167964096
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
5-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680695
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451
1-methyl-5-(6-methyl-1-benzofuran-2-yl)pyrazole-4-carboxylic acid
CID 115109556
1-methyl-5-[6-(trifluoromethyl)-1-benzofuran-2-yl]pyrazole-4-carboxylic acid
CID 115109545
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
1-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]ethanone
CID 105472133
1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
CID 131070981

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid (CID 115109340) is 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1-c1cc2ccc(F)cc2n1C.
What is the InChIKey of 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is RGWXOZJNHQOVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-17-11-6-9(15)4-3-8(11)5-12(17)13-10(14(19)20)7-16-18(13)2/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid?
5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 273.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 115109340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).