1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone

C17H19N3O — CID 802846

IUPAC1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)n2c(C)c(C)c3ccccc32)n1
InChIInChI=1S/C17H19N3O/c1-11-9-12(2)19(18-11)10-17(21)20-14(4)13(3)15-7-5-6-8-16(15)20/h5-9H,10H2,1-4H3
InChIKeyLPAZGYYMDMKYAQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.41
Rot. Bonds2

About 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone

1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 802846) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID802846
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)n2c(C)c(C)c3ccccc32)n1
InChIInChI=1S/C17H19N3O/c1-11-9-12(2)19(18-11)10-17(21)20-14(4)13(3)15-7-5-6-8-16(15)20/h5-9H,10H2,1-4H3
InChIKeyLPAZGYYMDMKYAQ-UHFFFAOYSA-N
XLogP3.41
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone (CID 802846) is 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(CC(=O)n2c(C)c(C)c3ccccc32)n1.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is LPAZGYYMDMKYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-9-12(2)19(18-11)10-17(21)20-14(4)13(3)15-7-5-6-8-16(15)20/h5-9H,10H2,1-4H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 802846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).