5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline

C17H11Cl2N3 — CID 11313428

IUPAC5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1c(Cl)cccc1Cl)c1ccccc12
InChIInChI=1S/C17H11Cl2N3/c1-9-15-17(22-21-9)11-6-3-2-5-10(11)16(20-15)14-12(18)7-4-8-13(14)19/h2-8H,1H3,(H,21,22)
InChIKeyYBDQOAYLVJKHSZ-UHFFFAOYSA-N
MW328.20 g/mol
LogP5.39
Rot. Bonds1

About 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline

5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline (PubChem CID 11313428) has the molecular formula C17H11Cl2N3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
PubChem CID11313428
Molecular FormulaC17H11Cl2N3
Molecular Weight328.20 g/mol
Exact Mass327.03
IUPAC Name5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1c(Cl)cccc1Cl)c1ccccc12
InChIInChI=1S/C17H11Cl2N3/c1-9-15-17(22-21-9)11-6-3-2-5-10(11)16(20-15)14-12(18)7-4-8-13(14)19/h2-8H,1H3,(H,21,22)
InChIKeyYBDQOAYLVJKHSZ-UHFFFAOYSA-N
XLogP5.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.20
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline (CID 11313428) is 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline is Cc1[nH]nc2c1nc(-c1c(Cl)cccc1Cl)c1ccccc12.
What is the InChIKey of 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is YBDQOAYLVJKHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3/c1-9-15-17(22-21-9)11-6-3-2-5-10(11)16(20-15)14-12(18)7-4-8-13(14)19/h2-8H,1H3,(H,21,22).
What are the key properties of 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline has a molecular weight of 328.20 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 11313428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).