3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one

C23H16ClFN6O2 — CID 46849078

IUPAC3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H16ClFN6O2/c1-33-21-14-30(19-7-6-16(13-18(19)25)29-11-3-9-26-29)28-22(23(21)32)20-8-10-27-31(20)17-5-2-4-15(24)12-17/h2-14H,1H3
InChIKeyVXQLWZYFOZUKMA-UHFFFAOYSA-N
MW462.87 g/mol
LogP4.07
Rot. Bonds5

About 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one

3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one (PubChem CID 46849078) has the molecular formula C23H16ClFN6O2 and a molecular weight of 462.87 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one
PubChem CID46849078
Molecular FormulaC23H16ClFN6O2
Molecular Weight462.87 g/mol
Exact Mass462.10
IUPAC Name3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H16ClFN6O2/c1-33-21-14-30(19-7-6-16(13-18(19)25)29-11-3-9-26-29)28-22(23(21)32)20-8-10-27-31(20)17-5-2-4-15(24)12-17/h2-14H,1H3
InChIKeyVXQLWZYFOZUKMA-UHFFFAOYSA-N
XLogP4.07
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-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-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one?
The IUPAC name of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one (CID 46849078) is 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one is COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2cccc(Cl)c2)c1=O.
What is the InChIKey of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one?
The InChIKey is VXQLWZYFOZUKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6O2/c1-33-21-14-30(19-7-6-16(13-18(19)25)29-11-3-9-26-29)28-22(23(21)32)20-8-10-27-31(20)17-5-2-4-15(24)12-17/h2-14H,1H3.
What are the key properties of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one?
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one has a molecular weight of 462.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one is sourced from PubChem (CID 46849078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).