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

C17H12ClN3 — CID 11243342

IUPAC8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1ccccc1)c1ccc(Cl)cc12
InChIInChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-9-12(18)7-8-13(14)16(19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)
InChIKeyDAYUYWBXUUSVQH-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.74
Rot. Bonds1

About 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline

8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline (PubChem CID 11243342) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
PubChem CID11243342
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1ccccc1)c1ccc(Cl)cc12
InChIInChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-9-12(18)7-8-13(14)16(19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)
InChIKeyDAYUYWBXUUSVQH-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 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline (CID 11243342) is 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline is Cc1[nH]nc2c1nc(-c1ccccc1)c1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is DAYUYWBXUUSVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-10-15-17(21-20-10)14-9-12(18)7-8-13(14)16(19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21).
What are the key properties of 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline?
8-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 8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 11243342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).