7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one

C23H13F2N3O — CID 141219304

IUPAC7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one
SMILESO=C1C(c2ccccc2)=Nc2c(-c3ccc(F)cc3F)c(-c3ccccc3)nn21
InChIInChI=1S/C23H13F2N3O/c24-16-11-12-17(18(25)13-16)19-20(14-7-3-1-4-8-14)27-28-22(19)26-21(23(28)29)15-9-5-2-6-10-15/h1-13H
InChIKeyXCNYISZFYQCPOZ-UHFFFAOYSA-N
MW385.37 g/mol
LogP5.27
Rot. Bonds3

About 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one

7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one (PubChem CID 141219304) has the molecular formula C23H13F2N3O and a molecular weight of 385.37 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one
PubChem CID141219304
Molecular FormulaC23H13F2N3O
Molecular Weight385.37 g/mol
Exact Mass385.10
IUPAC Name7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one
SMILESO=C1C(c2ccccc2)=Nc2c(-c3ccc(F)cc3F)c(-c3ccccc3)nn21
InChIInChI=1S/C23H13F2N3O/c24-16-11-12-17(18(25)13-16)19-20(14-7-3-1-4-8-14)27-28-22(19)26-21(23(28)29)15-9-5-2-6-10-15/h1-13H
InChIKeyXCNYISZFYQCPOZ-UHFFFAOYSA-N
XLogP5.27
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one?
The IUPAC name of 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one (CID 141219304) is 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one.
What is the SMILES notation for 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one?
The canonical SMILES for 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one is O=C1C(c2ccccc2)=Nc2c(-c3ccc(F)cc3F)c(-c3ccccc3)nn21.
What is the InChIKey of 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one?
The InChIKey is XCNYISZFYQCPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2N3O/c24-16-11-12-17(18(25)13-16)19-20(14-7-3-1-4-8-14)27-28-22(19)26-21(23(28)29)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one?
7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one has a molecular weight of 385.37 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-2,6-diphenylimidazo[2,1-e]pyrazol-3-one is sourced from PubChem (CID 141219304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).