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

C25H23N3O4 — CID 58365460

IUPAC5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2ccccc2OC)N(CCc2ccco2)C3=O)cc1
InChIInChI=1S/C25H23N3O4/c1-30-17-11-9-16(10-12-17)22-21-23(27-26-22)25(29)28(14-13-18-6-5-15-32-18)24(21)19-7-3-4-8-20(19)31-2/h3-12,15,24H,13-14H2,1-2H3,(H,26,27)
InChIKeyGOAZOMQLBVFWJP-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.47
Rot. Bonds7

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

5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 58365460) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID58365460
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2ccccc2OC)N(CCc2ccco2)C3=O)cc1
InChIInChI=1S/C25H23N3O4/c1-30-17-11-9-16(10-12-17)22-21-23(27-26-22)25(29)28(14-13-18-6-5-15-32-18)24(21)19-7-3-4-8-20(19)31-2/h3-12,15,24H,13-14H2,1-2H3,(H,26,27)
InChIKeyGOAZOMQLBVFWJP-UHFFFAOYSA-N
XLogP4.47
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 58365460) is 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(-c2n[nH]c3c2C(c2ccccc2OC)N(CCc2ccco2)C3=O)cc1.
What is the InChIKey of 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is GOAZOMQLBVFWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-30-17-11-9-16(10-12-17)22-21-23(27-26-22)25(29)28(14-13-18-6-5-15-32-18)24(21)19-7-3-4-8-20(19)31-2/h3-12,15,24H,13-14H2,1-2H3,(H,26,27).
What are the key properties of 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 429.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 58365460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).