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

C24H17F3N6O3 — CID 58072436

IUPAC1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3nccc3OC(F)F)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C24H17F3N6O3/c1-35-20-14-31(18-8-7-16(13-17(18)25)33-21(10-12-29-33)36-24(26)27)30-22(23(20)34)19-9-11-28-32(19)15-5-3-2-4-6-15/h2-14,24H,1H3
InChIKeyJYYHEOMQGGFDHZ-UHFFFAOYSA-N
MW494.43 g/mol
LogP4.02
Rot. Bonds7

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

1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58072436) has the molecular formula C24H17F3N6O3 and a molecular weight of 494.43 g/mol. Its IUPAC name is 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58072436
Molecular FormulaC24H17F3N6O3
Molecular Weight494.43 g/mol
Exact Mass494.13
IUPAC Name1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3nccc3OC(F)F)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C24H17F3N6O3/c1-35-20-14-31(18-8-7-16(13-17(18)25)33-21(10-12-29-33)36-24(26)27)30-22(23(20)34)19-9-11-28-32(19)15-5-3-2-4-6-15/h2-14,24H,1H3
InChIKeyJYYHEOMQGGFDHZ-UHFFFAOYSA-N
XLogP4.02
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58072436) is 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is COc1cn(-c2ccc(-n3nccc3OC(F)F)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O.
What is the InChIKey of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is JYYHEOMQGGFDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O3/c1-35-20-14-31(18-8-7-16(13-17(18)25)33-21(10-12-29-33)36-24(26)27)30-22(23(20)34)19-9-11-28-32(19)15-5-3-2-4-6-15/h2-14,24H,1H3.
What are the key properties of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 494.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58072436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).