4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one

C16H20N4O — CID 23332760

IUPAC4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(C)c2c1c1ccccc1c(=O)n2CCN(C)C
InChIInChI=1S/C16H20N4O/c1-11-14-12-7-5-6-8-13(12)16(21)20(10-9-18(2)3)15(14)19(4)17-11/h5-8H,9-10H2,1-4H3
InChIKeyKYAZNVYPITXOTO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.76
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one

4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 23332760) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
PubChem CID23332760
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(C)c2c1c1ccccc1c(=O)n2CCN(C)C
InChIInChI=1S/C16H20N4O/c1-11-14-12-7-5-6-8-13(12)16(21)20(10-9-18(2)3)15(14)19(4)17-11/h5-8H,9-10H2,1-4H3
InChIKeyKYAZNVYPITXOTO-UHFFFAOYSA-N
XLogP1.76
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one (CID 23332760) is 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one is Cc1nn(C)c2c1c1ccccc1c(=O)n2CCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is KYAZNVYPITXOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-14-12-7-5-6-8-13(12)16(21)20(10-9-18(2)3)15(14)19(4)17-11/h5-8H,9-10H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one?
4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 284.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 23332760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).