3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline

C15H11N3S — CID 11207819

IUPAC3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1cccs1)c1ccccc12
InChIInChI=1S/C15H11N3S/c1-9-13-15(18-17-9)11-6-3-2-5-10(11)14(16-13)12-7-4-8-19-12/h2-8H,1H3,(H,17,18)
InChIKeyLPJKGFRBILNRAY-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.15
Rot. Bonds1

About 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline

3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline (PubChem CID 11207819) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline
PubChem CID11207819
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1cccs1)c1ccccc12
InChIInChI=1S/C15H11N3S/c1-9-13-15(18-17-9)11-6-3-2-5-10(11)14(16-13)12-7-4-8-19-12/h2-8H,1H3,(H,17,18)
InChIKeyLPJKGFRBILNRAY-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline (CID 11207819) is 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline is Cc1[nH]nc2c1nc(-c1cccs1)c1ccccc12.
What is the InChIKey of 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is LPJKGFRBILNRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-9-13-15(18-17-9)11-6-3-2-5-10(11)14(16-13)12-7-4-8-19-12/h2-8H,1H3,(H,17,18).
What are the key properties of 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline?
3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline has a molecular weight of 265.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-thiophen-2-yl-2H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 11207819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).