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

C19H23N3O — CID 5308315

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O/c23-19(21-11-10-15-6-4-5-7-16(15)12-21)14-22-13-17-8-2-1-3-9-18(17)20-22/h4-7,13H,1-3,8-12,14H2
InChIKeyUXMIHCNKGBJULT-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.74
Rot. Bonds2

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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone (PubChem CID 5308315) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
PubChem CID5308315
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O/c23-19(21-11-10-15-6-4-5-7-16(15)12-21)14-22-13-17-8-2-1-3-9-18(17)20-22/h4-7,13H,1-3,8-12,14H2
InChIKeyUXMIHCNKGBJULT-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

BI-1347
CID 132180482
Diazepinone derivative 2
CID 73335337
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 5302443
1-(2,3-Dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5307321
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308006
1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
CID 5308133
N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308827
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 16012214
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 24818965
(4-benzylpiperidin-1-yl)(1-methyl-1H-pyrazol-5-yl)methanone
CID 6468689
2-(1-methylpyrazol-3-yl)-9-morpholin-4-yl-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335233

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone (CID 5308315) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone is O=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The InChIKey is UXMIHCNKGBJULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(21-11-10-15-6-4-5-7-16(15)12-21)14-22-13-17-8-2-1-3-9-18(17)20-22/h4-7,13H,1-3,8-12,14H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone has a molecular weight of 309.41 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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone is sourced from PubChem (CID 5308315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).