3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one

C22H18ClFN4O2 — CID 129234806

IUPAC3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one
SMILESCCc1ccc(-n2cc(OC)c(=O)c(-c3ccnn3-c3cccc(Cl)c3)n2)c(F)c1
InChIInChI=1S/C22H18ClFN4O2/c1-3-14-7-8-18(17(24)11-14)27-13-20(30-2)22(29)21(26-27)19-9-10-25-28(19)16-6-4-5-15(23)12-16/h4-13H,3H2,1-2H3
InChIKeyJGRIUISVKXJFKD-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.45
Rot. Bonds5

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

3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one (PubChem CID 129234806) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one
PubChem CID129234806
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC Name3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one
SMILESCCc1ccc(-n2cc(OC)c(=O)c(-c3ccnn3-c3cccc(Cl)c3)n2)c(F)c1
InChIInChI=1S/C22H18ClFN4O2/c1-3-14-7-8-18(17(24)11-14)27-13-20(30-2)22(29)21(26-27)19-9-10-25-28(19)16-6-4-5-15(23)12-16/h4-13H,3H2,1-2H3
InChIKeyJGRIUISVKXJFKD-UHFFFAOYSA-N
XLogP4.45
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 129234805
1-[4-(3,4-difluoropyrrol-1-yl)-2-(fluoromethoxy)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 71275832
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one
CID 67993189
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CID 144537128
1-[2-(difluoromethoxy)-4-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 88556016
1-[3-(3,6-dihydro-2H-pyran-4-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
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1-[2-fluoro-4-(3-oxo-1H-pyrazol-2-yl)cyclohepta-1,6-dien-1-yl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 163471149
1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole
CID 144572904
1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58072362
[3-fluoro-4-[5-methoxy-2-methyl-4-oxo-3-(2-phenylpyrazol-3-yl)-1-pyridinyl]phenyl] sulfite
CID 91332748
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
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3-[3-(dimethylamino)-2-methylprop-2-enoyl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one?
The IUPAC name of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one (CID 129234806) is 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one is CCc1ccc(-n2cc(OC)c(=O)c(-c3ccnn3-c3cccc(Cl)c3)n2)c(F)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one?
The InChIKey is JGRIUISVKXJFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-3-14-7-8-18(17(24)11-14)27-13-20(30-2)22(29)21(26-27)19-9-10-25-28(19)16-6-4-5-15(23)12-16/h4-13H,3H2,1-2H3.
What are the key properties of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one?
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one has a molecular weight of 424.86 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one is sourced from PubChem (CID 129234806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).