5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid

C15H15N3O3 — CID 117459371

IUPAC5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1cc2c(c(-c3cc(C(=O)O)nn3C)c1C)NC(=O)C2
InChIInChI=1S/C15H15N3O3/c1-7-4-9-5-12(19)16-14(9)13(8(7)2)11-6-10(15(20)21)17-18(11)3/h4,6H,5H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyNRRAEEAXTWFZOY-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.90
Rot. Bonds2

About 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid

5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117459371) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117459371
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1cc2c(c(-c3cc(C(=O)O)nn3C)c1C)NC(=O)C2
InChIInChI=1S/C15H15N3O3/c1-7-4-9-5-12(19)16-14(9)13(8(7)2)11-6-10(15(20)21)17-18(11)3/h4,6H,5H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyNRRAEEAXTWFZOY-UHFFFAOYSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117433246
5-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469002
5-(6-bromo-2,3-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117493941
5-(2,5-difluoro-3,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117419293
5-(2,3-difluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383215
5-(4-carboxy-2,6-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 117453275
5-(6-fluoro-2-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414677
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 115111513
5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117484177
5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136928657
1-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)pyrazole-3-carboxylic acid
CID 117394178
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid (CID 117459371) is 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid is Cc1cc2c(c(-c3cc(C(=O)O)nn3C)c1C)NC(=O)C2.
What is the InChIKey of 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is NRRAEEAXTWFZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-7-4-9-5-12(19)16-14(9)13(8(7)2)11-6-10(15(20)21)17-18(11)3/h4,6H,5H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid?
5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117459371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).