2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one

C15H13FN4O2 — CID 122541142

IUPAC2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESCn1cc(-c2ccc(=O)n(-c3ccc(OCF)cc3)n2)cn1
InChIInChI=1S/C15H13FN4O2/c1-19-9-11(8-17-19)14-6-7-15(21)20(18-14)12-2-4-13(5-3-12)22-10-16/h2-9H,10H2,1H3
InChIKeyOCIFFLSXDNJFOU-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one

2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one (PubChem CID 122541142) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
PubChem CID122541142
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESCn1cc(-c2ccc(=O)n(-c3ccc(OCF)cc3)n2)cn1
InChIInChI=1S/C15H13FN4O2/c1-19-9-11(8-17-19)14-6-7-15(21)20(18-14)12-2-4-13(5-3-12)22-10-16/h2-9H,10H2,1H3
InChIKeyOCIFFLSXDNJFOU-UHFFFAOYSA-N
XLogP1.94
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one?
The IUPAC name of 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one (CID 122541142) is 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one?
The canonical SMILES for 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one is Cn1cc(-c2ccc(=O)n(-c3ccc(OCF)cc3)n2)cn1.
What is the InChIKey of 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one?
The InChIKey is OCIFFLSXDNJFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-19-9-11(8-17-19)14-6-7-15(21)20(18-14)12-2-4-13(5-3-12)22-10-16/h2-9H,10H2,1H3.
What are the key properties of 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one?
2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one has a molecular weight of 300.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethoxy)phenyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one is sourced from PubChem (CID 122541142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).