5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid

C15H15N3O3 — CID 117459383

IUPAC5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCC(=O)N1CCc2ccc(-c3cc(C(=O)O)nn3C)cc21
InChIInChI=1S/C15H15N3O3/c1-9(19)18-6-5-10-3-4-11(7-14(10)18)13-8-12(15(20)21)16-17(13)2/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)
InChIKeyVLXZNLATPXLGAY-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.69
Rot. Bonds2

About 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid

5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117459383) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117459383
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCC(=O)N1CCc2ccc(-c3cc(C(=O)O)nn3C)cc21
InChIInChI=1S/C15H15N3O3/c1-9(19)18-6-5-10-3-4-11(7-14(10)18)13-8-12(15(20)21)16-17(13)2/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)
InChIKeyVLXZNLATPXLGAY-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid (CID 117459383) is 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid is CC(=O)N1CCc2ccc(-c3cc(C(=O)O)nn3C)cc21.
What is the InChIKey of 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is VLXZNLATPXLGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(19)18-6-5-10-3-4-11(7-14(10)18)13-8-12(15(20)21)16-17(13)2/h3-4,7-8H,5-6H2,1-2H3,(H,20,21).
What are the key properties of 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid?
5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117459383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).