2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H18N6O3 — CID 56724626

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)Nc3cc(C)on3)n2)n1
InChIInChI=1S/C16H18N6O3/c1-9-7-10(2)21(18-9)14-5-6-15(23)22(19-14)12(4)16(24)17-13-8-11(3)25-20-13/h5-8,12H,1-4H3,(H,17,20,24)
InChIKeyXXKDODIEBDBHSX-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.54
Rot. Bonds4

About 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 56724626) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID56724626
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)Nc3cc(C)on3)n2)n1
InChIInChI=1S/C16H18N6O3/c1-9-7-10(2)21(18-9)14-5-6-15(23)22(19-14)12(4)16(24)17-13-8-11(3)25-20-13/h5-8,12H,1-4H3,(H,17,20,24)
InChIKeyXXKDODIEBDBHSX-UHFFFAOYSA-N
XLogP1.54
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 56724626) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)Nc3cc(C)on3)n2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is XXKDODIEBDBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-9-7-10(2)21(18-9)14-5-6-15(23)22(19-14)12(4)16(24)17-13-8-11(3)25-20-13/h5-8,12H,1-4H3,(H,17,20,24).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 342.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 56724626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).