5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid

C13H11N3O3 — CID 115109249

IUPAC5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCn1cc(-c2[nH]ncc2C(=O)O)c2c(O)cccc21
InChIInChI=1S/C13H11N3O3/c1-16-6-8(11-9(16)3-2-4-10(11)17)12-7(13(18)19)5-14-15-12/h2-6,17H,1H3,(H,14,15)(H,18,19)
InChIKeyMFSOVAGTOYVHSX-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.97
Rot. Bonds2

About 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid

5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 115109249) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID115109249
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCn1cc(-c2[nH]ncc2C(=O)O)c2c(O)cccc21
InChIInChI=1S/C13H11N3O3/c1-16-6-8(11-9(16)3-2-4-10(11)17)12-7(13(18)19)5-14-15-12/h2-6,17H,1H3,(H,14,15)(H,18,19)
InChIKeyMFSOVAGTOYVHSX-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 115109249) is 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid is Cn1cc(-c2[nH]ncc2C(=O)O)c2c(O)cccc21.
What is the InChIKey of 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is MFSOVAGTOYVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-16-6-8(11-9(16)3-2-4-10(11)17)12-7(13(18)19)5-14-15-12/h2-6,17H,1H3,(H,14,15)(H,18,19).
What are the key properties of 5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-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-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 115109249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).