3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C25H24N4O4 — CID 59447788

IUPAC3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C25H24N4O4/c1-25(2,14-30)23-20-21(26-27-23)24(31)29(22(20)17-6-4-5-7-19(17)32-3)16-10-8-15(9-11-16)18-12-13-33-28-18/h4-13,22,30H,14H2,1-3H3,(H,26,27)
InChIKeyFZHVSOARDFCKBS-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.09
Rot. Bonds6

About 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 59447788) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID59447788
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C25H24N4O4/c1-25(2,14-30)23-20-21(26-27-23)24(31)29(22(20)17-6-4-5-7-19(17)32-3)16-10-8-15(9-11-16)18-12-13-33-28-18/h4-13,22,30H,14H2,1-3H3,(H,26,27)
InChIKeyFZHVSOARDFCKBS-UHFFFAOYSA-N
XLogP4.09
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-[4-(2-methoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 3826960
3-tert-butyl-4-cyclohexyl-5-(4-isoxazol-3-ylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
CID 24970326
3-Tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044908
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044921
3-(2-Hydroxyethyl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044953
3-Butyl-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044957
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045022
3-Tert-butyl-4-(3-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045031
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045045
4-(2-Methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 58045088
3-Tert-butyl-4-(2-chlorophenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045118
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045132

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 59447788) is 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is FZHVSOARDFCKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-25(2,14-30)23-20-21(26-27-23)24(31)29(22(20)17-6-4-5-7-19(17)32-3)16-10-8-15(9-11-16)18-12-13-33-28-18/h4-13,22,30H,14H2,1-3H3,(H,26,27).
What are the key properties of 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 444.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 59447788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).