4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one

C13H13N3O — CID 70613500

IUPAC4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one
SMILESCCn1c(=O)c2ccccc2c2cnn(C)c21
InChIInChI=1S/C13H13N3O/c1-3-16-12-11(8-14-15(12)2)9-6-4-5-7-10(9)13(16)17/h4-8H,3H2,1-2H3
InChIKeyHCXNSCVHGFSJRA-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.91
Rot. Bonds1

About 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one

4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 70613500) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one
PubChem CID70613500
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one
SMILESCCn1c(=O)c2ccccc2c2cnn(C)c21
InChIInChI=1S/C13H13N3O/c1-3-16-12-11(8-14-15(12)2)9-6-4-5-7-10(9)13(16)17/h4-8H,3H2,1-2H3
InChIKeyHCXNSCVHGFSJRA-UHFFFAOYSA-N
XLogP1.91
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one (CID 70613500) is 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one is CCn1c(=O)c2ccccc2c2cnn(C)c21.
What is the InChIKey of 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is HCXNSCVHGFSJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-16-12-11(8-14-15(12)2)9-6-4-5-7-10(9)13(16)17/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one?
4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 227.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 70613500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).