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

C16H17N3O2 — CID 3057683

IUPAC1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one
SMILESCCc1nn(C)c2nc(OCC(C)=O)c3ccccc3c12
InChIInChI=1S/C16H17N3O2/c1-4-13-14-11-7-5-6-8-12(11)16(21-9-10(2)20)17-15(14)19(3)18-13/h5-8H,4,9H2,1-3H3
InChIKeyANIYUHHMZGSOTH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.65
Rot. Bonds4

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

1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one (PubChem CID 3057683) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one
PubChem CID3057683
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one
SMILESCCc1nn(C)c2nc(OCC(C)=O)c3ccccc3c12
InChIInChI=1S/C16H17N3O2/c1-4-13-14-11-7-5-6-8-12(11)16(21-9-10(2)20)17-15(14)19(3)18-13/h5-8H,4,9H2,1-3H3
InChIKeyANIYUHHMZGSOTH-UHFFFAOYSA-N
XLogP2.65
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one?
The IUPAC name of 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one (CID 3057683) is 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one is CCc1nn(C)c2nc(OCC(C)=O)c3ccccc3c12.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one?
The InChIKey is ANIYUHHMZGSOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-13-14-11-7-5-6-8-12(11)16(21-9-10(2)20)17-15(14)19(3)18-13/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one?
1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-yl)oxypropan-2-one is sourced from PubChem (CID 3057683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).