3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

C27H25N5O — CID 135988788

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

3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (PubChem CID 135988788) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

Molecular Properties

• Compound Name: 3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
• PubChem CID: 135988788
• Molecular Formula: C27H25N5O
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.21
• IUPAC Name: 3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
• SMILES: CCc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1
• InChI: InChI=1S/C27H25N5O/c1-3-16-5-4-6-19(11-16)17-7-9-18(10-8-17)24-26(33)25(32(2)31-24)27-29-22-12-20-14-28-15-21(20)13-23(22)30-27/h4-13,28,33H,3,14-15H2,1-2H3,(H,29,30)
• InChIKey: SVOLYBPOYDFZGD-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 78.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (CID 135988788) is 3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

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

The canonical SMILES for 3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is CCc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.

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

The InChIKey is SVOLYBPOYDFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-3-16-5-4-6-19(11-16)17-7-9-18(10-8-17)24-26(33)25(32(2)31-24)27-29-22-12-20-14-28-15-21(20)13-23(22)30-27/h4-13,28,33H,3,14-15H2,1-2H3,(H,29,30).

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

3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol has a molecular weight of 435.53 g/mol, XLogP of 5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is sourced from PubChem (CID 135988788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).