1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline

C17H15N3S — CID 11243335

IUPAC1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline
SMILESCc1ccsc1-c1nc2c(C)nn(C)c2c2ccccc12
InChIInChI=1S/C17H15N3S/c1-10-8-9-21-17(10)15-12-6-4-5-7-13(12)16-14(18-15)11(2)19-20(16)3/h4-9H,1-3H3
InChIKeyXRAYGKOXYAKRCD-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.47
Rot. Bonds1

About 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline

1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline (PubChem CID 11243335) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline
PubChem CID11243335
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline
SMILESCc1ccsc1-c1nc2c(C)nn(C)c2c2ccccc12
InChIInChI=1S/C17H15N3S/c1-10-8-9-21-17(10)15-12-6-4-5-7-13(12)16-14(18-15)11(2)19-20(16)3/h4-9H,1-3H3
InChIKeyXRAYGKOXYAKRCD-UHFFFAOYSA-N
XLogP4.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline?
The IUPAC name of 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline (CID 11243335) is 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline?
The canonical SMILES for 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline is Cc1ccsc1-c1nc2c(C)nn(C)c2c2ccccc12.
What is the InChIKey of 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline?
The InChIKey is XRAYGKOXYAKRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-10-8-9-21-17(10)15-12-6-4-5-7-13(12)16-14(18-15)11(2)19-20(16)3/h4-9H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline?
1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline has a molecular weight of 293.39 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazolo[4,5-c]isoquinoline is sourced from PubChem (CID 11243335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).