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

C17H9F2N3O — CID 141219327

IUPAC7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one
SMILESO=C1C=Nc2c(-c3ccc(F)cc3F)c(-c3ccccc3)nn21
InChIInChI=1S/C17H9F2N3O/c18-11-6-7-12(13(19)8-11)15-16(10-4-2-1-3-5-10)21-22-14(23)9-20-17(15)22/h1-9H
InChIKeyLIWNVQFWBMNUFB-UHFFFAOYSA-N
MW309.28 g/mol
LogP3.85
Rot. Bonds2

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

7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one (PubChem CID 141219327) has the molecular formula C17H9F2N3O and a molecular weight of 309.28 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one
PubChem CID141219327
Molecular FormulaC17H9F2N3O
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one
SMILESO=C1C=Nc2c(-c3ccc(F)cc3F)c(-c3ccccc3)nn21
InChIInChI=1S/C17H9F2N3O/c18-11-6-7-12(13(19)8-11)15-16(10-4-2-1-3-5-10)21-22-14(23)9-20-17(15)22/h1-9H
InChIKeyLIWNVQFWBMNUFB-UHFFFAOYSA-N
XLogP3.85
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2-Fluorophenyl)methyl]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-one
CID 16027029
7-[(4-Fluorophenyl)methyl]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-one
CID 16027031
3,5-diphenyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166513901
1-[5-Amino-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanone
CID 145993662
US9687479, 268 1-(5-[(4-fluorophenyl)methyl]amino-3-phenyl-1H-pyrazol-1-yl)propan-1-one
CID 90428436
2-(4-fluorophenyl)-5-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one
CID 145917221
4-[7-(2,4-Difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile
CID 46215580
2-(2,4-Difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyrazol-3-one
CID 46216084
3-(2,4-Difluorophenyl)-2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazo[1,5-b]pyrazol-6-one
CID 68087947
4-[6-Methyl-3-oxo-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyrazol-2-yl]benzonitrile
CID 68087986
2-(4-Aminophenyl)-7-(2,4-difluorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one
CID 68088005
3-(2,4-Difluorophenyl)-2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-one
CID 68088042

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one?
The IUPAC name of 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one (CID 141219327) is 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one.
What is the SMILES notation for 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one?
The canonical SMILES for 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one is O=C1C=Nc2c(-c3ccc(F)cc3F)c(-c3ccccc3)nn21.
What is the InChIKey of 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one?
The InChIKey is LIWNVQFWBMNUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3O/c18-11-6-7-12(13(19)8-11)15-16(10-4-2-1-3-5-10)21-22-14(23)9-20-17(15)22/h1-9H.
What are the key properties of 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one?
7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one has a molecular weight of 309.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-6-phenylimidazo[2,1-e]pyrazol-3-one is sourced from PubChem (CID 141219327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).