5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C26H25N3O4 — CID 58365429

IUPAC5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2ccccc2OC)N(CCCc2ccco2)C3=O)cc1
InChIInChI=1S/C26H25N3O4/c1-31-18-13-11-17(12-14-18)23-22-24(28-27-23)26(30)29(15-5-7-19-8-6-16-33-19)25(22)20-9-3-4-10-21(20)32-2/h3-4,6,8-14,16,25H,5,7,15H2,1-2H3,(H,27,28)
InChIKeyVPIORGQQTUCDAT-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.86
Rot. Bonds8

About 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 58365429) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID58365429
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2ccccc2OC)N(CCCc2ccco2)C3=O)cc1
InChIInChI=1S/C26H25N3O4/c1-31-18-13-11-17(12-14-18)23-22-24(28-27-23)26(30)29(15-5-7-19-8-6-16-33-19)25(22)20-9-3-4-10-21(20)32-2/h3-4,6,8-14,16,25H,5,7,15H2,1-2H3,(H,27,28)
InChIKeyVPIORGQQTUCDAT-UHFFFAOYSA-N
XLogP4.86
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 58365429) is 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(-c2n[nH]c3c2C(c2ccccc2OC)N(CCCc2ccco2)C3=O)cc1.
What is the InChIKey of 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is VPIORGQQTUCDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-31-18-13-11-17(12-14-18)23-22-24(28-27-23)26(30)29(15-5-7-19-8-6-16-33-19)25(22)20-9-3-4-10-21(20)32-2/h3-4,6,8-14,16,25H,5,7,15H2,1-2H3,(H,27,28).
What are the key properties of 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 443.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)propyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 58365429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).