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

C16H13N3S — CID 11231302

IUPAC3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1ccsc1-c1nc2c(C)[nH]nc2c2ccccc12
InChIInChI=1S/C16H13N3S/c1-9-7-8-20-16(9)15-12-6-4-3-5-11(12)14-13(17-15)10(2)18-19-14/h3-8H,1-2H3,(H,18,19)
InChIKeyLMOQPLURROUONW-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.46
Rot. Bonds1

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

3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline (PubChem CID 11231302) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline
PubChem CID11231302
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1ccsc1-c1nc2c(C)[nH]nc2c2ccccc12
InChIInChI=1S/C16H13N3S/c1-9-7-8-20-16(9)15-12-6-4-3-5-11(12)14-13(17-15)10(2)18-19-14/h3-8H,1-2H3,(H,18,19)
InChIKeyLMOQPLURROUONW-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline (CID 11231302) is 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline is Cc1ccsc1-c1nc2c(C)[nH]nc2c2ccccc12.
What is the InChIKey of 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is LMOQPLURROUONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-9-7-8-20-16(9)15-12-6-4-3-5-11(12)14-13(17-15)10(2)18-19-14/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline?
3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline has a molecular weight of 279.37 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 11231302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).