1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

C23H25N5O2 — CID 135857350

About 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (PubChem CID 135857350) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

Molecular Properties

• Compound Name: 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
• PubChem CID: 135857350
• Molecular Formula: C23H25N5O2
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.20
• IUPAC Name: 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
• SMILES: COCCCn1nc(-c2ccc(C)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3
• InChI: InChI=1S/C23H25N5O2/c1-14-4-6-15(7-5-14)20-22(29)21(28(27-20)8-3-9-30-2)23-25-18-10-16-12-24-13-17(16)11-19(18)26-23/h4-7,10-11,24,29H,3,8-9,12-13H2,1-2H3,(H,25,26)
• InChIKey: OSLAYWNYSJGTKS-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 87.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?

The IUPAC name of 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (CID 135857350) is 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

What is the SMILES notation for 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?

The canonical SMILES for 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is COCCCn1nc(-c2ccc(C)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.

What is the InChIKey of 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?

The InChIKey is OSLAYWNYSJGTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14-4-6-15(7-5-14)20-22(29)21(28(27-20)8-3-9-30-2)23-25-18-10-16-12-24-13-17(16)11-19(18)26-23/h4-7,10-11,24,29H,3,8-9,12-13H2,1-2H3,(H,25,26).

What are the key properties of 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?

1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol has a molecular weight of 403.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is sourced from PubChem (CID 135857350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).