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

C24H18FN3O3 — CID 3771691

IUPAC3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)ccc1O
InChIInChI=1S/C24H18FN3O3/c1-31-19-13-15(9-12-18(19)29)23-20-21(14-7-10-16(25)11-8-14)26-27-22(20)24(30)28(23)17-5-3-2-4-6-17/h2-13,23,29H,1H3,(H,26,27)
InChIKeyIKISJUQFPCZSOF-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.68
Rot. Bonds4

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

3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 3771691) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID3771691
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)ccc1O
InChIInChI=1S/C24H18FN3O3/c1-31-19-13-15(9-12-18(19)29)23-20-21(14-7-10-16(25)11-8-14)26-27-22(20)24(30)28(23)17-5-3-2-4-6-17/h2-13,23,29H,1H3,(H,26,27)
InChIKeyIKISJUQFPCZSOF-UHFFFAOYSA-N
XLogP4.68
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 3771691) is 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cc(C2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)ccc1O.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is IKISJUQFPCZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c1-31-19-13-15(9-12-18(19)29)23-20-21(14-7-10-16(25)11-8-14)26-27-22(20)24(30)28(23)17-5-3-2-4-6-17/h2-13,23,29H,1H3,(H,26,27).
What are the key properties of 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 415.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 3771691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).