9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline

C17H12ClN3 — CID 11449264

IUPAC9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1ccccc1)c1cccc(Cl)c12
InChIInChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-12(8-5-9-13(14)18)16(19-15)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21)
InChIKeyQPIPYLRGQRBTAA-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.74
Rot. Bonds1

About 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline

9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline (PubChem CID 11449264) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
PubChem CID11449264
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1ccccc1)c1cccc(Cl)c12
InChIInChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-12(8-5-9-13(14)18)16(19-15)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21)
InChIKeyQPIPYLRGQRBTAA-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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline (CID 11449264) is 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline is Cc1[nH]nc2c1nc(-c1ccccc1)c1cccc(Cl)c12.
What is the InChIKey of 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is QPIPYLRGQRBTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-12(8-5-9-13(14)18)16(19-15)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21).
What are the key properties of 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline?
9-chloro-3-methyl-5-phenyl-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 9-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 11449264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).