1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline

C22H13BrClN3 — CID 10812758

IUPAC1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline
SMILESClc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2ncc2ccccc23)cc1
InChIInChI=1S/C22H13BrClN3/c23-16-7-11-18(12-8-16)27-22-19-4-2-1-3-15(19)13-25-21(22)20(26-27)14-5-9-17(24)10-6-14/h1-13H
InChIKeyPSXDRBJAOBIENC-UHFFFAOYSA-N
MW434.72 g/mol
LogP6.66
Rot. Bonds2

About 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline

1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline (PubChem CID 10812758) has the molecular formula C22H13BrClN3 and a molecular weight of 434.72 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline
PubChem CID10812758
Molecular FormulaC22H13BrClN3
Molecular Weight434.72 g/mol
Exact Mass433.00
IUPAC Name1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline
SMILESClc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2ncc2ccccc23)cc1
InChIInChI=1S/C22H13BrClN3/c23-16-7-11-18(12-8-16)27-22-19-4-2-1-3-15(19)13-25-21(22)20(26-27)14-5-9-17(24)10-6-14/h1-13H
InChIKeyPSXDRBJAOBIENC-UHFFFAOYSA-N
XLogP6.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.72
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline?
The IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline (CID 10812758) is 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline is Clc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2ncc2ccccc23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline?
The InChIKey is PSXDRBJAOBIENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrClN3/c23-16-7-11-18(12-8-16)27-22-19-4-2-1-3-15(19)13-25-21(22)20(26-27)14-5-9-17(24)10-6-14/h1-13H.
What are the key properties of 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline?
1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline has a molecular weight of 434.72 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline is sourced from PubChem (CID 10812758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).