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

C25H20FN3O3 — CID 4775163

IUPAC5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)ccc1O
InChIInChI=1S/C25H20FN3O3/c1-14-3-5-15(6-4-14)22-21-23(28-27-22)25(31)29(18-10-8-17(26)9-11-18)24(21)16-7-12-19(30)20(13-16)32-2/h3-13,24,30H,1-2H3,(H,27,28)
InChIKeyQZINTYDNAUQPGJ-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.99
Rot. Bonds4

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

5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 4775163) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID4775163
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)ccc1O
InChIInChI=1S/C25H20FN3O3/c1-14-3-5-15(6-4-14)22-21-23(28-27-22)25(31)29(18-10-8-17(26)9-11-18)24(21)16-7-12-19(30)20(13-16)32-2/h3-13,24,30H,1-2H3,(H,27,28)
InChIKeyQZINTYDNAUQPGJ-UHFFFAOYSA-N
XLogP4.99
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 4775163) is 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cc(C2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)ccc1O.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is QZINTYDNAUQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-14-3-5-15(6-4-14)22-21-23(28-27-22)25(31)29(18-10-8-17(26)9-11-18)24(21)16-7-12-19(30)20(13-16)32-2/h3-13,24,30H,1-2H3,(H,27,28).
What are the key properties of 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 429.45 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 4775163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).