5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline

C16H16BrN3 — CID 106543709

IUPAC5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline
SMILESCCc1cc(CC)n(-c2nccc3c(Br)cccc23)n1
InChIInChI=1S/C16H16BrN3/c1-3-11-10-12(4-2)20(19-11)16-14-6-5-7-15(17)13(14)8-9-18-16/h5-10H,3-4H2,1-2H3
InChIKeyTZRLISWPXKVYOM-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.31
Rot. Bonds3

About 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline

5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline (PubChem CID 106543709) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline.

Molecular Properties

Compound Name5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline
PubChem CID106543709
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline
SMILESCCc1cc(CC)n(-c2nccc3c(Br)cccc23)n1
InChIInChI=1S/C16H16BrN3/c1-3-11-10-12(4-2)20(19-11)16-14-6-5-7-15(17)13(14)8-9-18-16/h5-10H,3-4H2,1-2H3
InChIKeyTZRLISWPXKVYOM-UHFFFAOYSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-diethylpyrazol-1-yl)-4-methylphthalazine
CID 82700548
2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
CID 82699986
1-(5-bromoisoquinolin-1-yl)-1,2,4-triazol-3-amine
CID 106541716
N-[[2-(3,5-diethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 82693989
2-bromo-6-(3,5-diethylpyrazol-1-yl)benzenecarbothioamide
CID 114882799
1-(benzimidazol-1-yl)-5-bromoisoquinoline
CID 106543714
[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol
CID 114060384
N-[[1-(5-bromoisoquinolin-1-yl)piperidin-4-yl]methyl]ethanamine
CID 106540909
4-(3,5-diethylpyrazol-1-yl)pyridine
CID 82700412
2-(3-bromo-5-ethylpyrazol-1-yl)-3-chloropyridine
CID 143762317
2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline
CID 82698966
1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol
CID 103889072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline?
The IUPAC name of 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline (CID 106543709) is 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline.
What is the SMILES notation for 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline?
The canonical SMILES for 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline is CCc1cc(CC)n(-c2nccc3c(Br)cccc23)n1.
What is the InChIKey of 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline?
The InChIKey is TZRLISWPXKVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-3-11-10-12(4-2)20(19-11)16-14-6-5-7-15(17)13(14)8-9-18-16/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline?
5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline has a molecular weight of 330.23 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline is sourced from PubChem (CID 106543709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).