1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone

C18H21N3O — CID 5308133

IUPAC1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O/c22-18(21-11-10-14-6-4-5-9-17(14)21)13-20-12-15-7-2-1-3-8-16(15)19-20/h4-6,9,12H,1-3,7-8,10-11,13H2
InChIKeyLVEZDOXGQPINIQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.74
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone (PubChem CID 5308133) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
PubChem CID5308133
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O/c22-18(21-11-10-14-6-4-5-9-17(14)21)13-20-12-15-7-2-1-3-8-16(15)19-20/h4-6,9,12H,1-3,7-8,10-11,13H2
InChIKeyLVEZDOXGQPINIQ-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone (CID 5308133) is 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone is O=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The InChIKey is LVEZDOXGQPINIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(21-11-10-14-6-4-5-9-17(14)21)13-20-12-15-7-2-1-3-8-16(15)19-20/h4-6,9,12H,1-3,7-8,10-11,13H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone has a molecular weight of 295.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone is sourced from PubChem (CID 5308133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).