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

C17H12ClN3 — CID 11392232

IUPAC5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1ccc(Cl)cc1)c1ccccc12
InChIInChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-5-3-2-4-13(14)16(19-15)11-6-8-12(18)9-7-11/h2-9H,1H3,(H,20,21)
InChIKeyUSHVHWQAWPZGDX-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.74
Rot. Bonds1

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

5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline (PubChem CID 11392232) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
PubChem CID11392232
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1ccc(Cl)cc1)c1ccccc12
InChIInChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-5-3-2-4-13(14)16(19-15)11-6-8-12(18)9-7-11/h2-9H,1H3,(H,20,21)
InChIKeyUSHVHWQAWPZGDX-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline (CID 11392232) is 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline is Cc1[nH]nc2c1nc(-c1ccc(Cl)cc1)c1ccccc12.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is USHVHWQAWPZGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-5-3-2-4-13(14)16(19-15)11-6-8-12(18)9-7-11/h2-9H,1H3,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline has a molecular weight of 293.76 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 11392232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).