3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

C114H119N25O5 — CID 159762336

IUPAC3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
SMILESCCCCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.CCCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.Cc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.Cn1nc(-c2ccc(C3CCCC3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccc(C3CCCCC3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3
InChIInChI=1S/C25H27N5O.C24H25N5O.C23H25N5O.C22H23N5O.C20H19N5O/c1-30-23(25-27-20-11-18-13-26-14-19(18)12-21(20)28-25)24(31)22(29-30)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-29-22(24-26-19-10-17-12-25-13-18(17)11-20(19)27-24)23(30)21(28-29)16-8-6-15(7-9-16)14-4-2-3-5-14;1-3-4-5-14-6-8-15(9-7-14)20-22(29)21(28(2)27-20)23-25-18-10-16-12-24-13-17(16)11-19(18)26-23;1-3-4-13-5-7-14(8-6-13)19-21(28)20(27(2)26-19)22-24-17-9-15-11-23-12-16(15)10-18(17)25-22;1-11-3-5-12(6-4-11)17-19(26)18(25(2)24-17)20-22-15-7-13-9-21-10-14(13)8-16(15)23-20/h7-12,15,26,31H,2-6,13-14H2,1H3,(H,27,28);6-11,14,25,30H,2-5,12-13H2,1H3,(H,26,27);6-11,24,29H,3-5,12-13H2,1-2H3,(H,25,26);5-10,23,28H,3-4,11-12H2,1-2H3,(H,24,25);3-8,21,26H,9-10H2,1-2H3,(H,22,23)
InChIKeyNFBAGDNPYPZIHV-UHFFFAOYSA-N
MW1919.38 g/mol
LogP21.00
Rot. Bonds17

About 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (PubChem CID 159762336) has the molecular formula C114H119N25O5 and a molecular weight of 1919.38 g/mol. Its IUPAC name is 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
PubChem CID159762336
Molecular FormulaC114H119N25O5
Molecular Weight1919.38 g/mol
Exact Mass1917.98
IUPAC Name3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
SMILESCCCCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.CCCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.Cc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.Cn1nc(-c2ccc(C3CCCC3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccc(C3CCCCC3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3
InChIInChI=1S/C25H27N5O.C24H25N5O.C23H25N5O.C22H23N5O.C20H19N5O/c1-30-23(25-27-20-11-18-13-26-14-19(18)12-21(20)28-25)24(31)22(29-30)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-29-22(24-26-19-10-17-12-25-13-18(17)11-20(19)27-24)23(30)21(28-29)16-8-6-15(7-9-16)14-4-2-3-5-14;1-3-4-5-14-6-8-15(9-7-14)20-22(29)21(28(2)27-20)23-25-18-10-16-12-24-13-17(16)11-19(18)26-23;1-3-4-13-5-7-14(8-6-13)19-21(28)20(27(2)26-19)22-24-17-9-15-11-23-12-16(15)10-18(17)25-22;1-11-3-5-12(6-4-11)17-19(26)18(25(2)24-17)20-22-15-7-13-9-21-10-14(13)8-16(15)23-20/h7-12,15,26,31H,2-6,13-14H2,1H3,(H,27,28);6-11,14,25,30H,2-5,12-13H2,1H3,(H,26,27);6-11,24,29H,3-5,12-13H2,1-2H3,(H,25,26);5-10,23,28H,3-4,11-12H2,1-2H3,(H,24,25);3-8,21,26H,9-10H2,1-2H3,(H,22,23)
InChIKeyNFBAGDNPYPZIHV-UHFFFAOYSA-N
XLogP21.00
TPSA393.80 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001919.38
LogP ≤ 521.00
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Analyze 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The IUPAC name of 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (CID 159762336) is 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.
What is the SMILES notation for 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The canonical SMILES for 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is CCCCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.CCCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.Cc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.Cn1nc(-c2ccc(C3CCCC3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccc(C3CCCCC3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.
What is the InChIKey of 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The InChIKey is NFBAGDNPYPZIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.C24H25N5O.C23H25N5O.C22H23N5O.C20H19N5O/c1-30-23(25-27-20-11-18-13-26-14-19(18)12-21(20)28-25)24(31)22(29-30)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-29-22(24-26-19-10-17-12-25-13-18(17)11-20(19)27-24)23(30)21(28-29)16-8-6-15(7-9-16)14-4-2-3-5-14;1-3-4-5-14-6-8-15(9-7-14)20-22(29)21(28(2)27-20)23-25-18-10-16-12-24-13-17(16)11-19(18)26-23;1-3-4-13-5-7-14(8-6-13)19-21(28)20(27(2)26-19)22-24-17-9-15-11-23-12-16(15)10-18(17)25-22;1-11-3-5-12(6-4-11)17-19(26)18(25(2)24-17)20-22-15-7-13-9-21-10-14(13)8-16(15)23-20/h7-12,15,26,31H,2-6,13-14H2,1H3,(H,27,28);6-11,14,25,30H,2-5,12-13H2,1H3,(H,26,27);6-11,24,29H,3-5,12-13H2,1-2H3,(H,25,26);5-10,23,28H,3-4,11-12H2,1-2H3,(H,24,25);3-8,21,26H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol has a molecular weight of 1919.38 g/mol, XLogP of 21.00, 17 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is sourced from PubChem (CID 159762336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).