3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C25H29N3O6 — CID 666602

IUPAC3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)cc(OC)c1OC
InChIInChI=1S/C25H29N3O6/c1-13-9-14(2)23(30)16(10-13)20-19-21(27-26-20)25(31)28(7-6-8-29)22(19)15-11-17(32-3)24(34-5)18(12-15)33-4/h9-12,22,29-30H,6-8H2,1-5H3,(H,26,27)
InChIKeyJWGGMDNWCDVAPD-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.35
Rot. Bonds8

About 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 666602) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID666602
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cc(C2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)cc(OC)c1OC
InChIInChI=1S/C25H29N3O6/c1-13-9-14(2)23(30)16(10-13)20-19-21(27-26-20)25(31)28(7-6-8-29)22(19)15-11-17(32-3)24(34-5)18(12-15)33-4/h9-12,22,29-30H,6-8H2,1-5H3,(H,26,27)
InChIKeyJWGGMDNWCDVAPD-UHFFFAOYSA-N
XLogP3.35
TPSA117.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 662815
4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 663328
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872467
(3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
CID 665984
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 666157
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 666598
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 666953
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 667010
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 1833503
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1851874
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1944533
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 2032190

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 666602) is 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1cc(C2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)cc(OC)c1OC.
What is the InChIKey of 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is JWGGMDNWCDVAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-13-9-14(2)23(30)16(10-13)20-19-21(27-26-20)25(31)28(7-6-8-29)22(19)15-11-17(32-3)24(34-5)18(12-15)33-4/h9-12,22,29-30H,6-8H2,1-5H3,(H,26,27).
What are the key properties of 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 467.52 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 666602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).