3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one

C19H14FN5O — CID 59453401

IUPAC3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one
SMILESCc1cc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)ccn1
InChIInChI=1S/C19H14FN5O/c1-13-12-14(6-9-21-13)24-11-8-18(26)19(23-24)17-7-10-22-25(17)16-5-3-2-4-15(16)20/h2-12H,1H3
InChIKeyYYRJLLOOJNQWEJ-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.93
Rot. Bonds3

About 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one

3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one (PubChem CID 59453401) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one
PubChem CID59453401
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one
SMILESCc1cc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)ccn1
InChIInChI=1S/C19H14FN5O/c1-13-12-14(6-9-21-13)24-11-8-18(26)19(23-24)17-7-10-22-25(17)16-5-3-2-4-15(16)20/h2-12H,1H3
InChIKeyYYRJLLOOJNQWEJ-UHFFFAOYSA-N
XLogP2.93
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-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 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one (CID 59453401) is 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one is Cc1cc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)ccn1.
What is the InChIKey of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one?
The InChIKey is YYRJLLOOJNQWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-13-12-14(6-9-21-13)24-11-8-18(26)19(23-24)17-7-10-22-25(17)16-5-3-2-4-15(16)20/h2-12H,1H3.
What are the key properties of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one?
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one has a molecular weight of 347.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-(2-methyl-4-pyridinyl)pyridazin-4-one is sourced from PubChem (CID 59453401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).