2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline

C24H17BrN2 — CID 90297222

IUPAC2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCc1c(-c2cccc(Br)c2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C24H17BrN2/c1-16-23(19-11-7-12-20(25)14-19)26-27-22(17-8-3-2-4-9-17)15-18-10-5-6-13-21(18)24(16)27/h2-15H,1H3
InChIKeyJEDYMDQFIVTNRE-UHFFFAOYSA-N
MW413.32 g/mol
LogP6.89
Rot. Bonds2

About 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline

2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297222) has the molecular formula C24H17BrN2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297222
Molecular FormulaC24H17BrN2
Molecular Weight413.32 g/mol
Exact Mass412.06
IUPAC Name2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCc1c(-c2cccc(Br)c2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C24H17BrN2/c1-16-23(19-11-7-12-20(25)14-19)26-27-22(17-8-3-2-4-9-17)15-18-10-5-6-13-21(18)24(16)27/h2-15H,1H3
InChIKeyJEDYMDQFIVTNRE-UHFFFAOYSA-N
XLogP6.89
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
1-methyl-5-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140939982
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 140939980
1-methyl-5-phenyl-2-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140940022
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297279
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328809
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328879
2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939934
9,9-dimethyl-N-[3-[3-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90297192
1-(3-bromophenyl)-3-methylisoquinoline
CID 170562488
9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90297662

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline (CID 90297222) is 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline is Cc1c(-c2cccc(Br)c2)nn2c(-c3ccccc3)cc3ccccc3c12.
What is the InChIKey of 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is JEDYMDQFIVTNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2/c1-16-23(19-11-7-12-20(25)14-19)26-27-22(17-8-3-2-4-9-17)15-18-10-5-6-13-21(18)24(16)27/h2-15H,1H3.
What are the key properties of 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 413.32 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).