1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C23H20F2N4O3 — CID 129234805

IUPAC1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCCc1ccc(-n2cc(OC)c(=O)c(-c3ccnn3-c3ccccc3)n2)c(OC(F)F)c1
InChIInChI=1S/C23H20F2N4O3/c1-3-15-9-10-17(19(13-15)32-23(24)25)28-14-20(31-2)22(30)21(27-28)18-11-12-26-29(18)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3
InChIKeyZZJIEYZDDJAUKS-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.26
Rot. Bonds7

About 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 129234805) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID129234805
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC Name1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCCc1ccc(-n2cc(OC)c(=O)c(-c3ccnn3-c3ccccc3)n2)c(OC(F)F)c1
InChIInChI=1S/C23H20F2N4O3/c1-3-15-9-10-17(19(13-15)32-23(24)25)28-14-20(31-2)22(30)21(27-28)18-11-12-26-29(18)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3
InChIKeyZZJIEYZDDJAUKS-UHFFFAOYSA-N
XLogP4.26
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 129234805) is 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is CCc1ccc(-n2cc(OC)c(=O)c(-c3ccnn3-c3ccccc3)n2)c(OC(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is ZZJIEYZDDJAUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c1-3-15-9-10-17(19(13-15)32-23(24)25)28-14-20(31-2)22(30)21(27-28)18-11-12-26-29(18)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 438.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 129234805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).