4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid

C13H11N3O4 — CID 82488652

IUPAC4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
SMILESCN1C(=O)Cc2cc(-c3c(C(=O)O)[nH][nH]c3=O)ccc21
InChIInChI=1S/C13H11N3O4/c1-16-8-3-2-6(4-7(8)5-9(16)17)10-11(13(19)20)14-15-12(10)18/h2-4H,5H2,1H3,(H,19,20)(H2,14,15,18)
InChIKeyQJAFYDLINIWFOM-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.59
Rot. Bonds2

About 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid

4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid (PubChem CID 82488652) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
PubChem CID82488652
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
SMILESCN1C(=O)Cc2cc(-c3c(C(=O)O)[nH][nH]c3=O)ccc21
InChIInChI=1S/C13H11N3O4/c1-16-8-3-2-6(4-7(8)5-9(16)17)10-11(13(19)20)14-15-12(10)18/h2-4H,5H2,1H3,(H,19,20)(H2,14,15,18)
InChIKeyQJAFYDLINIWFOM-UHFFFAOYSA-N
XLogP0.59
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 82300289
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
4-bromo-5-(1-methyl-2-oxo-3H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 116858067
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520148
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
CID 116899433
1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid
CID 82289083
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82308194
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
CID 82299502

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid?
The IUPAC name of 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid (CID 82488652) is 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid?
The canonical SMILES for 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid is CN1C(=O)Cc2cc(-c3c(C(=O)O)[nH][nH]c3=O)ccc21.
What is the InChIKey of 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid?
The InChIKey is QJAFYDLINIWFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-16-8-3-2-6(4-7(8)5-9(16)17)10-11(13(19)20)14-15-12(10)18/h2-4H,5H2,1H3,(H,19,20)(H2,14,15,18).
What are the key properties of 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid?
4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid is sourced from PubChem (CID 82488652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).