5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline

C24H17ClN2O — CID 71723863

IUPAC5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3c4ccccc4cc(-c4ccc(Cl)cc4)n3n2)cc1
InChIInChI=1S/C24H17ClN2O/c1-28-20-12-8-16(9-13-20)22-15-24-21-5-3-2-4-18(21)14-23(27(24)26-22)17-6-10-19(25)11-7-17/h2-15H,1H3
InChIKeyMNRZSDTWAVXIFT-UHFFFAOYSA-N
MW384.87 g/mol
LogP6.48
Rot. Bonds3

About 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline

5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline (PubChem CID 71723863) has the molecular formula C24H17ClN2O and a molecular weight of 384.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
PubChem CID71723863
Molecular FormulaC24H17ClN2O
Molecular Weight384.87 g/mol
Exact Mass384.10
IUPAC Name5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3c4ccccc4cc(-c4ccc(Cl)cc4)n3n2)cc1
InChIInChI=1S/C24H17ClN2O/c1-28-20-12-8-16(9-13-20)22-15-24-21-5-3-2-4-18(21)14-23(27(24)26-22)17-6-10-19(25)11-7-17/h2-15H,1H3
InChIKeyMNRZSDTWAVXIFT-UHFFFAOYSA-N
XLogP6.48
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline (CID 71723863) is 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline is COc1ccc(-c2cc3c4ccccc4cc(-c4ccc(Cl)cc4)n3n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is MNRZSDTWAVXIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O/c1-28-20-12-8-16(9-13-20)22-15-24-21-5-3-2-4-18(21)14-23(27(24)26-22)17-6-10-19(25)11-7-17/h2-15H,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline?
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 384.87 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 71723863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).