1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one

C15H15N3O2 — CID 23332766

IUPAC1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one
SMILESCC(=O)COc1nc2c(c(C)nn2C)c2ccccc12
InChIInChI=1S/C15H15N3O2/c1-9(19)8-20-15-12-7-5-4-6-11(12)13-10(2)17-18(3)14(13)16-15/h4-7H,8H2,1-3H3
InChIKeyIXKWETQTIJKQFW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.40
Rot. Bonds3

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

1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one (PubChem CID 23332766) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one
PubChem CID23332766
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one
SMILESCC(=O)COc1nc2c(c(C)nn2C)c2ccccc12
InChIInChI=1S/C15H15N3O2/c1-9(19)8-20-15-12-7-5-4-6-11(12)13-10(2)17-18(3)14(13)16-15/h4-7H,8H2,1-3H3
InChIKeyIXKWETQTIJKQFW-UHFFFAOYSA-N
XLogP2.40
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one (CID 23332766) is 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one is CC(=O)COc1nc2c(c(C)nn2C)c2ccccc12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one?
The InChIKey is IXKWETQTIJKQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(19)8-20-15-12-7-5-4-6-11(12)13-10(2)17-18(3)14(13)16-15/h4-7H,8H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one?
1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one is sourced from PubChem (CID 23332766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).