1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C16H19N3O — CID 116611973

IUPAC1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc3c(c2)NCC3)n(C)n1
InChIInChI=1S/C16H19N3O/c1-3-13-9-14(19(2)18-13)10-16(20)12-5-4-11-6-7-17-15(11)8-12/h4-5,8-9,17H,3,6-7,10H2,1-2H3
InChIKeyZKBORKLSUKGVIH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.38
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 116611973) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID116611973
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc3c(c2)NCC3)n(C)n1
InChIInChI=1S/C16H19N3O/c1-3-13-9-14(19(2)18-13)10-16(20)12-5-4-11-6-7-17-15(11)8-12/h4-5,8-9,17H,3,6-7,10H2,1-2H3
InChIKeyZKBORKLSUKGVIH-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554232
1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
1-(3-amino-4-methylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116550975
1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116601864
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847846
1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116611918
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 105412085
1-(2,3-dihydro-1H-indol-6-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116612096
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 103052472
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116612097
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061812
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 113329351

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 116611973) is 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)c2ccc3c(c2)NCC3)n(C)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is ZKBORKLSUKGVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-13-9-14(19(2)18-13)10-16(20)12-5-4-11-6-7-17-15(11)8-12/h4-5,8-9,17H,3,6-7,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 269.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116611973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).