3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one

C23H19F3N4O2 — CID 46218825

IUPAC3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
SMILESCC(C)c1ccc(-n2nccc2-c2nn(-c3cccc(OC(F)(F)F)c3)ccc2=O)cc1
InChIInChI=1S/C23H19F3N4O2/c1-15(2)16-6-8-17(9-7-16)30-20(10-12-27-30)22-21(31)11-13-29(28-22)18-4-3-5-19(14-18)32-23(24,25)26/h3-15H,1-2H3
InChIKeyCNMGXBZMGSWPPT-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.11
Rot. Bonds5

About 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one

3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one (PubChem CID 46218825) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
PubChem CID46218825
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
SMILESCC(C)c1ccc(-n2nccc2-c2nn(-c3cccc(OC(F)(F)F)c3)ccc2=O)cc1
InChIInChI=1S/C23H19F3N4O2/c1-15(2)16-6-8-17(9-7-16)30-20(10-12-27-30)22-21(31)11-13-29(28-22)18-4-3-5-19(14-18)32-23(24,25)26/h3-15H,1-2H3
InChIKeyCNMGXBZMGSWPPT-UHFFFAOYSA-N
XLogP5.11
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]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-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one?
The IUPAC name of 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one (CID 46218825) is 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one?
The canonical SMILES for 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one is CC(C)c1ccc(-n2nccc2-c2nn(-c3cccc(OC(F)(F)F)c3)ccc2=O)cc1.
What is the InChIKey of 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one?
The InChIKey is CNMGXBZMGSWPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-15(2)16-6-8-17(9-7-16)30-20(10-12-27-30)22-21(31)11-13-29(28-22)18-4-3-5-19(14-18)32-23(24,25)26/h3-15H,1-2H3.
What are the key properties of 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one?
3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one has a molecular weight of 440.43 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one is sourced from PubChem (CID 46218825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).