5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline

C23H14Cl2N2 — CID 56648998

IUPAC5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline
SMILESClc1ccc(-c2c(-c3ccc(Cl)cc3)n3nccc3c3ccccc23)cc1
InChIInChI=1S/C23H14Cl2N2/c24-17-9-5-15(6-10-17)22-20-4-2-1-3-19(20)21-13-14-26-27(21)23(22)16-7-11-18(25)12-8-16/h1-14H
InChIKeyPGZSQJOFPKUBAV-UHFFFAOYSA-N
MW389.29 g/mol
LogP7.13
Rot. Bonds2

About 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline

5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline (PubChem CID 56648998) has the molecular formula C23H14Cl2N2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline
PubChem CID56648998
Molecular FormulaC23H14Cl2N2
Molecular Weight389.29 g/mol
Exact Mass388.05
IUPAC Name5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline
SMILESClc1ccc(-c2c(-c3ccc(Cl)cc3)n3nccc3c3ccccc23)cc1
InChIInChI=1S/C23H14Cl2N2/c24-17-9-5-15(6-10-17)22-20-4-2-1-3-19(20)21-13-14-26-27(21)23(22)16-7-11-18(25)12-8-16/h1-14H
InChIKeyPGZSQJOFPKUBAV-UHFFFAOYSA-N
XLogP7.13
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline
CID 135059689
10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline
CID 56649085
7-(4-chlorophenyl)benzo[a]quinolizin-6-one
CID 132564751
1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
CID 15473667
1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159510
5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline
CID 168875275
3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene
CID 59359205
CID 59359420
CID 59359420
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155029490
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine
CID 59358302
4-[4-[10-(4-chlorophenyl)anthracen-9-yl]phenyl]benzonitrile
CID 169275226

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline (CID 56648998) is 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline is Clc1ccc(-c2c(-c3ccc(Cl)cc3)n3nccc3c3ccccc23)cc1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is PGZSQJOFPKUBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2/c24-17-9-5-15(6-10-17)22-20-4-2-1-3-19(20)21-13-14-26-27(21)23(22)16-7-11-18(25)12-8-16/h1-14H.
What are the key properties of 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline?
5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 389.29 g/mol, XLogP of 7.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 56648998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).