4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H21N3O5 — CID 4888228

IUPAC4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C24H21N3O5/c1-30-18-10-9-14(12-19(18)31-2)23-20-21(16-7-3-4-8-17(16)28)25-26-22(20)24(29)27(23)13-15-6-5-11-32-15/h3-12,23,28H,13H2,1-2H3,(H,25,26)
InChIKeyBLFNRIXYRKQHJE-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.14
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 4888228) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID4888228
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C24H21N3O5/c1-30-18-10-9-14(12-19(18)31-2)23-20-21(16-7-3-4-8-17(16)28)25-26-22(20)24(29)27(23)13-15-6-5-11-32-15/h3-12,23,28H,13H2,1-2H3,(H,25,26)
InChIKeyBLFNRIXYRKQHJE-UHFFFAOYSA-N
XLogP4.14
TPSA100.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 4888228) is 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is BLFNRIXYRKQHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-30-18-10-9-14(12-19(18)31-2)23-20-21(16-7-3-4-8-17(16)28)25-26-22(20)24(29)27(23)13-15-6-5-11-32-15/h3-12,23,28H,13H2,1-2H3,(H,25,26).
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 431.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 4888228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).