1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C23H17FN6O2 — CID 58577335

IUPAC1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1ccnn1-c1ccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C23H17FN6O2/c1-32-22-10-13-26-30(22)17-7-8-19(18(24)15-17)28-14-11-21(31)23(27-28)20-9-12-25-29(20)16-5-3-2-4-6-16/h2-15H,1H3
InChIKeyFTGWAFWAHUIMKX-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.42
Rot. Bonds5

About 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577335) has the molecular formula C23H17FN6O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577335
Molecular FormulaC23H17FN6O2
Molecular Weight428.43 g/mol
Exact Mass428.14
IUPAC Name1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1ccnn1-c1ccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C23H17FN6O2/c1-32-22-10-13-26-30(22)17-7-8-19(18(24)15-17)28-14-11-21(31)23(27-28)20-9-12-25-29(20)16-5-3-2-4-6-16/h2-15H,1H3
InChIKeyFTGWAFWAHUIMKX-UHFFFAOYSA-N
XLogP3.42
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577335) is 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is COc1ccnn1-c1ccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3)n2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is FTGWAFWAHUIMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O2/c1-32-22-10-13-26-30(22)17-7-8-19(18(24)15-17)28-14-11-21(31)23(27-28)20-9-12-25-29(20)16-5-3-2-4-6-16/h2-15H,1H3.
What are the key properties of 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 428.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(5-methoxypyrazol-1-yl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).