3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C24H22N4O2 — CID 58044908

IUPAC3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)(C)c1[nH]nc2c1C(c1ccccc1)N(c1ccc(-c3ccon3)cc1)C2=O
InChIInChI=1S/C24H22N4O2/c1-24(2,3)22-19-20(25-26-22)23(29)28(21(19)16-7-5-4-6-8-16)17-11-9-15(10-12-17)18-13-14-30-27-18/h4-14,21H,1-3H3,(H,25,26)
InChIKeyRPOQCZZEGRIPRM-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.11
Rot. Bonds3

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

3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58044908) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58044908
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)(C)c1[nH]nc2c1C(c1ccccc1)N(c1ccc(-c3ccon3)cc1)C2=O
InChIInChI=1S/C24H22N4O2/c1-24(2,3)22-19-20(25-26-22)23(29)28(21(19)16-7-5-4-6-8-16)17-11-9-15(10-12-17)18-13-14-30-27-18/h4-14,21H,1-3H3,(H,25,26)
InChIKeyRPOQCZZEGRIPRM-UHFFFAOYSA-N
XLogP5.11
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-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

3-tert-butyl-4-cyclohexyl-5-(4-isoxazol-3-ylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
CID 24970326
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-(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-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
3-Tert-butyl-4-(4-chlorophenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045175
4-(2-Methoxyphenyl)-3-(4-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 58045202
4-Cyclohexyl-3-(4-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 58045224
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045325
3-Tert-butyl-4-(2-ethoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365290
3-Tert-butyl-4-(2,6-dimethoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365443

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58044908) is 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CC(C)(C)c1[nH]nc2c1C(c1ccccc1)N(c1ccc(-c3ccon3)cc1)C2=O.
What is the InChIKey of 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is RPOQCZZEGRIPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-24(2,3)22-19-20(25-26-22)23(29)28(21(19)16-7-5-4-6-8-16)17-11-9-15(10-12-17)18-13-14-30-27-18/h4-14,21H,1-3H3,(H,25,26).
What are the key properties of 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 398.47 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58044908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).