[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate

C11H12N4O3 — CID 91528325

IUPAC[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate
SMILESCC(=O)On1nc(-n2nc(C)cc2C)ccc1=O
InChIInChI=1S/C11H12N4O3/c1-7-6-8(2)14(12-7)10-4-5-11(17)15(13-10)18-9(3)16/h4-6H,1-3H3
InChIKeyLBBQLAIKDMOBRK-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.02
Rot. Bonds2

About [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate

[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate (PubChem CID 91528325) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate
PubChem CID91528325
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate
SMILESCC(=O)On1nc(-n2nc(C)cc2C)ccc1=O
InChIInChI=1S/C11H12N4O3/c1-7-6-8(2)14(12-7)10-4-5-11(17)15(13-10)18-9(3)16/h4-6H,1-3H3
InChIKeyLBBQLAIKDMOBRK-UHFFFAOYSA-N
XLogP0.02
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate (CID 91528325) is [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate is CC(=O)On1nc(-n2nc(C)cc2C)ccc1=O.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate?
The InChIKey is LBBQLAIKDMOBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-6-8(2)14(12-7)10-4-5-11(17)15(13-10)18-9(3)16/h4-6H,1-3H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate?
[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate has a molecular weight of 248.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl] acetate is sourced from PubChem (CID 91528325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).