2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one

C15H13FN4O2 — CID 59407016

IUPAC2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(OCc3ccc(F)cc3)nn2)[nH]1
InChIInChI=1S/C15H13FN4O2/c1-10-8-15(21)20(19-10)13-6-7-14(18-17-13)22-9-11-2-4-12(16)5-3-11/h2-8,19H,9H2,1H3
InChIKeyFVEXCHSZTSVOJH-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.98
Rot. Bonds4

About 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one

2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one (PubChem CID 59407016) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one
PubChem CID59407016
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(OCc3ccc(F)cc3)nn2)[nH]1
InChIInChI=1S/C15H13FN4O2/c1-10-8-15(21)20(19-10)13-6-7-14(18-17-13)22-9-11-2-4-12(16)5-3-11/h2-8,19H,9H2,1H3
InChIKeyFVEXCHSZTSVOJH-UHFFFAOYSA-N
XLogP1.98
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one (CID 59407016) is 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(-c2ccc(OCc3ccc(F)cc3)nn2)[nH]1.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is FVEXCHSZTSVOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-10-8-15(21)20(19-10)13-6-7-14(18-17-13)22-9-11-2-4-12(16)5-3-11/h2-8,19H,9H2,1H3.
What are the key properties of 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one?
2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 300.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 59407016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).