5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid

C13H11N3O3 — CID 136986451

IUPAC5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C13H11N3O3/c1-16-12(9(6-14-16)13(18)19)11-4-7-2-3-8(17)5-10(7)15-11/h2-6,15,17H,1H3,(H,18,19)
InChIKeyASRQUAHAZVKHTL-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.97
Rot. Bonds2

About 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid

5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 136986451) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID136986451
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C13H11N3O3/c1-16-12(9(6-14-16)13(18)19)11-4-7-2-3-8(17)5-10(7)15-11/h2-6,15,17H,1H3,(H,18,19)
InChIKeyASRQUAHAZVKHTL-UHFFFAOYSA-N
XLogP1.97
TPSA91.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986454
1-methyl-5-[7-(trifluoromethyl)-1H-indol-2-yl]pyrazole-4-carboxylic acid
CID 136986407
2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol
CID 136985621
1-methyl-5-(6-methyl-1H-indol-2-yl)pyrazol-4-amine
CID 136986433
2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
CID 136985765
3-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 136985793
1-methyl-5-(6-methyl-1-benzofuran-2-yl)pyrazole-4-carboxylic acid
CID 115109556
5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986309
3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985610
5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109340

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid (CID 136986451) is 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1-c1cc2ccc(O)cc2[nH]1.
What is the InChIKey of 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is ASRQUAHAZVKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-16-12(9(6-14-16)13(18)19)11-4-7-2-3-8(17)5-10(7)15-11/h2-6,15,17H,1H3,(H,18,19).
What are the key properties of 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid?
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 136986451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).