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

C28H27N3O4 — CID 43855350

IUPAC4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4)c3C2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C28H27N3O4/c1-33-20-11-9-18(10-12-20)15-16-31-27(22-14-13-21(34-2)17-23(22)35-3)24-25(19-7-5-4-6-8-19)29-30-26(24)28(31)32/h4-14,17,27H,15-16H2,1-3H3,(H,29,30)
InChIKeyNWQQYUWASUXPTE-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.89
Rot. Bonds8

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

4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43855350) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43855350
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4)c3C2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C28H27N3O4/c1-33-20-11-9-18(10-12-20)15-16-31-27(22-14-13-21(34-2)17-23(22)35-3)24-25(19-7-5-4-6-8-19)29-30-26(24)28(31)32/h4-14,17,27H,15-16H2,1-3H3,(H,29,30)
InChIKeyNWQQYUWASUXPTE-UHFFFAOYSA-N
XLogP4.89
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857484
4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858825
4-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858570
4-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855367
4-(2,4-dimethoxyphenyl)-5-(2-methoxyethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856425
4-(3,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856461
5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855211
4-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyl-5-(2-phenylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856108
(4R)-4-(4-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 94860220
4-(3-butoxyphenyl)-3-phenyl-5-(2-phenylethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855866
3,4-bis(4-chlorophenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857731
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858916

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43855350) is 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4)c3C2c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is NWQQYUWASUXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-33-20-11-9-18(10-12-20)15-16-31-27(22-14-13-21(34-2)17-23(22)35-3)24-25(19-7-5-4-6-8-19)29-30-26(24)28(31)32/h4-14,17,27H,15-16H2,1-3H3,(H,29,30).
What are the key properties of 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 469.54 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43855350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).