2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide

C13H17N5O2 — CID 90517530

IUPAC2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C13H17N5O2/c1-3-7-14-13(20)10(2)18-12(19)6-5-11(16-18)17-9-4-8-15-17/h4-6,8-10H,3,7H2,1-2H3,(H,14,20)
InChIKeyGDEKVSXBXMINGR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.52
Rot. Bonds5

About 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide

2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide (PubChem CID 90517530) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide
PubChem CID90517530
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C13H17N5O2/c1-3-7-14-13(20)10(2)18-12(19)6-5-11(16-18)17-9-4-8-15-17/h4-6,8-10H,3,7H2,1-2H3,(H,14,20)
InChIKeyGDEKVSXBXMINGR-UHFFFAOYSA-N
XLogP0.52
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide (CID 90517530) is 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide?
The InChIKey is GDEKVSXBXMINGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-7-14-13(20)10(2)18-12(19)6-5-11(16-18)17-9-4-8-15-17/h4-6,8-10H,3,7H2,1-2H3,(H,14,20).
What are the key properties of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide?
2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide has a molecular weight of 275.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 90517530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).