5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid

C12H9N3O3 — CID 82293565

IUPAC5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
SMILESO=C1Cc2cc(-c3[nH]ncc3C(=O)O)ccc2N1
InChIInChI=1S/C12H9N3O3/c16-10-4-7-3-6(1-2-9(7)14-10)11-8(12(17)18)5-13-15-11/h1-3,5H,4H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyVYTIRKXGUHFPRU-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.27
Rot. Bonds2

About 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid

5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 82293565) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID82293565
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
SMILESO=C1Cc2cc(-c3[nH]ncc3C(=O)O)ccc2N1
InChIInChI=1S/C12H9N3O3/c16-10-4-7-3-6(1-2-9(7)14-10)11-8(12(17)18)5-13-15-11/h1-3,5H,4H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyVYTIRKXGUHFPRU-UHFFFAOYSA-N
XLogP1.27
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
CID 82482166
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxylic acid
CID 28948711
3-(2-oxo-1,3-dihydroindol-5-yl)pyridine-4-carboxamide
CID 175778528
5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 175141162
4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
CID 146216092
2-[5-(2-oxo-1,3-dihydroindol-5-yl)-1,2-oxazol-3-yl]acetic acid
CID 82483292
6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
CID 59216572
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
CID 82299815
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid (CID 82293565) is 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid is O=C1Cc2cc(-c3[nH]ncc3C(=O)O)ccc2N1.
What is the InChIKey of 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is VYTIRKXGUHFPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-10-4-7-3-6(1-2-9(7)14-10)11-8(12(17)18)5-13-15-11/h1-3,5H,4H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid?
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 82293565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).