2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline

C29H19BrN2 — CID 90297803

IUPAC2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESBrc1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C29H19BrN2/c30-24-17-15-22(16-18-24)28-27(21-11-5-2-6-12-21)29-25-14-8-7-13-23(25)19-26(32(29)31-28)20-9-3-1-4-10-20/h1-19H
InChIKeyJXUSIUYEORSOEL-UHFFFAOYSA-N
MW475.39 g/mol
LogP8.25
Rot. Bonds3

About 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline

2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297803) has the molecular formula C29H19BrN2 and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297803
Molecular FormulaC29H19BrN2
Molecular Weight475.39 g/mol
Exact Mass474.07
IUPAC Name2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESBrc1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C29H19BrN2/c30-24-17-15-22(16-18-24)28-27(21-11-5-2-6-12-21)29-25-14-8-7-13-23(25)19-26(32(29)31-28)20-9-3-1-4-10-20/h1-19H
InChIKeyJXUSIUYEORSOEL-UHFFFAOYSA-N
XLogP8.25
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)-N,N-diphenylaniline
CID 90297341
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928213
1-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927859
2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939934
10-[4-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 164927998
8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328640
1-methyl-5-phenyl-2-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140940022
2-(4-anthracen-9-ylphenyl)-1-phenyl-5-pyridin-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297673
10-[2-[4-(2,5-diphenylpyrazolo[5,1-a]isoquinolin-1-yl)phenyl]-6-phenylpyrimidin-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 164927837
2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297222
2,5-diphenyl-1-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 164927762

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline (CID 90297803) is 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline is Brc1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is JXUSIUYEORSOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrN2/c30-24-17-15-22(16-18-24)28-27(21-11-5-2-6-12-21)29-25-14-8-7-13-23(25)19-26(32(29)31-28)20-9-3-1-4-10-20/h1-19H.
What are the key properties of 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 475.39 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).