2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone

C17H21N3O — CID 116554232

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc3c(c2)CCN3)n(CC)n1
InChIInChI=1S/C17H21N3O/c1-3-14-10-15(20(4-2)19-14)11-17(21)13-5-6-16-12(9-13)7-8-18-16/h5-6,9-10,18H,3-4,7-8,11H2,1-2H3
InChIKeyGMRGBKGENBZFHC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.86
Rot. Bonds5

About 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone

2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 116554232) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID116554232
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc3c(c2)CCN3)n(CC)n1
InChIInChI=1S/C17H21N3O/c1-3-14-10-15(20(4-2)19-14)11-17(21)13-5-6-16-12(9-13)7-8-18-16/h5-6,9-10,18H,3-4,7-8,11H2,1-2H3
InChIKeyGMRGBKGENBZFHC-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116611973
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061812
1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116554273
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768
1-(3-bromo-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778986
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 106871189
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone (CID 116554232) is 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone is CCc1cc(CC(=O)c2ccc3c(c2)CCN3)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is GMRGBKGENBZFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-14-10-15(20(4-2)19-14)11-17(21)13-5-6-16-12(9-13)7-8-18-16/h5-6,9-10,18H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 283.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 116554232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).