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

C24H28N4O2 — CID 24970326

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

3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 24970326) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 24970326
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
• SMILES: CC(C)(C)c1[nH]nc2c1C(C1CCCCC1)N(c1ccc(-c3ccon3)cc1)C2=O
• InChI: InChI=1S/C24H28N4O2/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/h9-14,16,21H,4-8H2,1-3H3,(H,25,26)
• InChIKey: COLZIOZRCOOZDD-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The IUPAC name of 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 24970326) is 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

What is the SMILES notation for 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The canonical SMILES for 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)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-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

The InChIKey is COLZIOZRCOOZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/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/h9-14,16,21H,4-8H2,1-3H3,(H,25,26).

What are the key properties of 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?

3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 404.51 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-4-cyclohexyl-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 24970326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).