4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C23H15F2N3O — CID 4261094

IUPAC4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccc(F)cc3)c2C(c2ccccc2F)N1c1ccccc1
InChIInChI=1S/C23H15F2N3O/c24-15-12-10-14(11-13-15)20-19-21(27-26-20)23(29)28(16-6-2-1-3-7-16)22(19)17-8-4-5-9-18(17)25/h1-13,22H,(H,26,27)
InChIKeyXHDRZZCKUOOVHC-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.10
Rot. Bonds3

About 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 4261094) has the molecular formula C23H15F2N3O and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID4261094
Molecular FormulaC23H15F2N3O
Molecular Weight387.39 g/mol
Exact Mass387.12
IUPAC Name4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccc(F)cc3)c2C(c2ccccc2F)N1c1ccccc1
InChIInChI=1S/C23H15F2N3O/c24-15-12-10-14(11-13-15)20-19-21(27-26-20)23(29)28(16-6-2-1-3-7-16)22(19)17-8-4-5-9-18(17)25/h1-13,22H,(H,26,27)
InChIKeyXHDRZZCKUOOVHC-UHFFFAOYSA-N
XLogP5.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-isopropylphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 16020067
3-(4-Chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-6-one
CID 16020071
N-benzyl-N-ethyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 16022660
3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 44522996
3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46944140
N-[(2-fluorophenyl)methyl]-1,5-diphenylpyrazole-3-carboxamide
CID 145977189
3-Tert-butyl-5-(3-chlorophenyl)-4-(4-chlorophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155547578
5-(3-Chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155563628
4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 15990943
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide
CID 4786972
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide
CID 17426455
N,3-diphenyl-1H-pyrazole-5-carboxamide
CID 777792

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 4261094) is 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is O=C1c2[nH]nc(-c3ccc(F)cc3)c2C(c2ccccc2F)N1c1ccccc1.
What is the InChIKey of 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is XHDRZZCKUOOVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O/c24-15-12-10-14(11-13-15)20-19-21(27-26-20)23(29)28(16-6-2-1-3-7-16)22(19)17-8-4-5-9-18(17)25/h1-13,22H,(H,26,27).
What are the key properties of 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 387.39 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 4261094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).