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

C23H25N3O5 — CID 43858619

IUPAC4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2C1c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C23H25N3O5/c1-5-10-26-21(14-11-16(30-3)22(27)17(12-14)31-4)18-19(24-25-20(18)23(26)28)13-6-8-15(29-2)9-7-13/h6-9,11-12,21,27H,5,10H2,1-4H3,(H,24,25)
InChIKeyGIAROXBUKGDXNQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.76
Rot. Bonds7

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

4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43858619) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43858619
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2C1c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C23H25N3O5/c1-5-10-26-21(14-11-16(30-3)22(27)17(12-14)31-4)18-19(24-25-20(18)23(26)28)13-6-8-15(29-2)9-7-13/h6-9,11-12,21,27H,5,10H2,1-4H3,(H,24,25)
InChIKeyGIAROXBUKGDXNQ-UHFFFAOYSA-N
XLogP3.76
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-(3-methoxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858605
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856474
4-(4-ethoxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-5-pentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858666
4-(4-butoxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-5-(3-methoxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859135
5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856479
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-(2-methylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856469
3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 23608271
4-(3,4-dimethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856461
5-butyl-4-(3-fluorophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858926
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426463
5-butyl-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858691
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135586059

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43858619) is 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2C1c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is GIAROXBUKGDXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-5-10-26-21(14-11-16(30-3)22(27)17(12-14)31-4)18-19(24-25-20(18)23(26)28)13-6-8-15(29-2)9-7-13/h6-9,11-12,21,27H,5,10H2,1-4H3,(H,24,25).
What are the key properties of 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 423.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43858619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).