2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone

C20H19N3O — CID 71015749

IUPAC2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCc3cc(-c4cn[nH]c4)ccc32)c1
InChIInChI=1S/C20H19N3O/c1-14-3-2-4-15(9-14)10-20(24)23-8-7-17-11-16(5-6-19(17)23)18-12-21-22-13-18/h2-6,9,11-13H,7-8,10H2,1H3,(H,21,22)
InChIKeySDMDRWUNGLFOGF-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.52
Rot. Bonds3

About 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone

2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 71015749) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID71015749
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCc3cc(-c4cn[nH]c4)ccc32)c1
InChIInChI=1S/C20H19N3O/c1-14-3-2-4-15(9-14)10-20(24)23-8-7-17-11-16(5-6-19(17)23)18-12-21-22-13-18/h2-6,9,11-13H,7-8,10H2,1H3,(H,21,22)
InChIKeySDMDRWUNGLFOGF-UHFFFAOYSA-N
XLogP3.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone (CID 71015749) is 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone is Cc1cccc(CC(=O)N2CCc3cc(-c4cn[nH]c4)ccc32)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is SDMDRWUNGLFOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-3-2-4-15(9-14)10-20(24)23-8-7-17-11-16(5-6-19(17)23)18-12-21-22-13-18/h2-6,9,11-13H,7-8,10H2,1H3,(H,21,22).
What are the key properties of 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 71015749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).