1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one

C24H17F3N6O2 — CID 58577677

IUPAC1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cc(-c2nn(-c3ccc(-n4nccc4OC(F)F)cc3F)ccc2=O)n(-c2ccccc2)n1
InChIInChI=1S/C24H17F3N6O2/c1-15-13-20(32(29-15)16-5-3-2-4-6-16)23-21(34)10-12-31(30-23)19-8-7-17(14-18(19)25)33-22(9-11-28-33)35-24(26)27/h2-14,24H,1H3
InChIKeyZQSAZUOXOAZEPN-UHFFFAOYSA-N
MW478.43 g/mol
LogP4.32
Rot. Bonds6

About 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one

1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577677) has the molecular formula C24H17F3N6O2 and a molecular weight of 478.43 g/mol. Its IUPAC name is 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577677
Molecular FormulaC24H17F3N6O2
Molecular Weight478.43 g/mol
Exact Mass478.14
IUPAC Name1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cc(-c2nn(-c3ccc(-n4nccc4OC(F)F)cc3F)ccc2=O)n(-c2ccccc2)n1
InChIInChI=1S/C24H17F3N6O2/c1-15-13-20(32(29-15)16-5-3-2-4-6-16)23-21(34)10-12-31(30-23)19-8-7-17(14-18(19)25)33-22(9-11-28-33)35-24(26)27/h2-14,24H,1H3
InChIKeyZQSAZUOXOAZEPN-UHFFFAOYSA-N
XLogP4.32
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)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 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577677) is 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one is Cc1cc(-c2nn(-c3ccc(-n4nccc4OC(F)F)cc3F)ccc2=O)n(-c2ccccc2)n1.
What is the InChIKey of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is ZQSAZUOXOAZEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O2/c1-15-13-20(32(29-15)16-5-3-2-4-6-16)23-21(34)10-12-31(30-23)19-8-7-17(14-18(19)25)33-22(9-11-28-33)35-24(26)27/h2-14,24H,1H3.
What are the key properties of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 478.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).