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

C23H15F3N6O2 — CID 58577590

IUPAC1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(-n3nccc3OC(F)F)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C23H15F3N6O2/c24-17-14-16(32-21(9-12-28-32)34-23(25)26)6-7-18(17)30-13-10-20(33)22(29-30)19-8-11-27-31(19)15-4-2-1-3-5-15/h1-14,23H
InChIKeyAIWMEUYCMGNSHY-UHFFFAOYSA-N
MW464.41 g/mol
LogP4.01
Rot. Bonds6

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

1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577590) has the molecular formula C23H15F3N6O2 and a molecular weight of 464.41 g/mol. Its IUPAC name is 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577590
Molecular FormulaC23H15F3N6O2
Molecular Weight464.41 g/mol
Exact Mass464.12
IUPAC Name1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(-n3nccc3OC(F)F)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C23H15F3N6O2/c24-17-14-16(32-21(9-12-28-32)34-23(25)26)6-7-18(17)30-13-10-20(33)22(29-30)19-8-11-27-31(19)15-4-2-1-3-5-15/h1-14,23H
InChIKeyAIWMEUYCMGNSHY-UHFFFAOYSA-N
XLogP4.01
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577590) is 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2ccc(-n3nccc3OC(F)F)cc2F)nc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is AIWMEUYCMGNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O2/c24-17-14-16(32-21(9-12-28-32)34-23(25)26)6-7-18(17)30-13-10-20(33)22(29-30)19-8-11-27-31(19)15-4-2-1-3-5-15/h1-14,23H.
What are the key properties of 1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-[5-(difluoromethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 464.41 g/mol, XLogP of 4.01, 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-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).