2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one

C16H16N4O — CID 177376945

IUPAC2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(Cc3ccccc3)n2)n1
InChIInChI=1S/C16H16N4O/c1-12-10-13(2)20(17-12)15-8-9-16(21)19(18-15)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyZPGOVRVZJPRHSS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.09
Rot. Bonds3

About 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one

2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one (PubChem CID 177376945) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
PubChem CID177376945
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(Cc3ccccc3)n2)n1
InChIInChI=1S/C16H16N4O/c1-12-10-13(2)20(17-12)15-8-9-16(21)19(18-15)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyZPGOVRVZJPRHSS-UHFFFAOYSA-N
XLogP2.09
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one (CID 177376945) is 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(Cc3ccccc3)n2)n1.
What is the InChIKey of 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The InChIKey is ZPGOVRVZJPRHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-10-13(2)20(17-12)15-8-9-16(21)19(18-15)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one has a molecular weight of 280.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 177376945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).