3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one

C24H17F3N6O3 — CID 59369953

IUPAC3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
SMILESO=C1CCC(c2ccc(-n3nccc3-c3nn(-c4cccc(OC(F)(F)F)c4)ccc3=O)cc2)=NN1
InChIInChI=1S/C24H17F3N6O3/c25-24(26,27)36-18-3-1-2-17(14-18)32-13-11-21(34)23(31-32)20-10-12-28-33(20)16-6-4-15(5-7-16)19-8-9-22(35)30-29-19/h1-7,10-14H,8-9H2,(H,30,35)
InChIKeyDOORDZOPYZUEFJ-UHFFFAOYSA-N
MW494.43 g/mol
LogP3.60
Rot. Bonds5

About 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one

3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one (PubChem CID 59369953) has the molecular formula C24H17F3N6O3 and a molecular weight of 494.43 g/mol. Its IUPAC name is 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
PubChem CID59369953
Molecular FormulaC24H17F3N6O3
Molecular Weight494.43 g/mol
Exact Mass494.13
IUPAC Name3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
SMILESO=C1CCC(c2ccc(-n3nccc3-c3nn(-c4cccc(OC(F)(F)F)c4)ccc3=O)cc2)=NN1
InChIInChI=1S/C24H17F3N6O3/c25-24(26,27)36-18-3-1-2-17(14-18)32-13-11-21(34)23(31-32)20-10-12-28-33(20)16-6-4-15(5-7-16)19-8-9-22(35)30-29-19/h1-7,10-14H,8-9H2,(H,30,35)
InChIKeyDOORDZOPYZUEFJ-UHFFFAOYSA-N
XLogP3.60
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[4-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyrazol-1-yl]benzonitrile
CID 59370146
3-(2-pyridin-2-ylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 46218711
3-[2-(3-methylsulfonylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 59369984
3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 59370177
1-[4-(trifluoromethoxy)phenyl]-3-[2-[3-(trifluoromethylsulfonyl)phenyl]pyrazol-3-yl]pyridazin-4-one
CID 59369968
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819
3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one
CID 59370102
3-[2-(3-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 66710696
3-(2-isoquinolin-4-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 59369985
3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one
CID 70226809
3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 141272838
3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 46873186

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one?
The IUPAC name of 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one (CID 59369953) is 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one?
The canonical SMILES for 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one is O=C1CCC(c2ccc(-n3nccc3-c3nn(-c4cccc(OC(F)(F)F)c4)ccc3=O)cc2)=NN1.
What is the InChIKey of 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one?
The InChIKey is DOORDZOPYZUEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O3/c25-24(26,27)36-18-3-1-2-17(14-18)32-13-11-21(34)23(31-32)20-10-12-28-33(20)16-6-4-15(5-7-16)19-8-9-22(35)30-29-19/h1-7,10-14H,8-9H2,(H,30,35).
What are the key properties of 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one?
3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one has a molecular weight of 494.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one is sourced from PubChem (CID 59369953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).