3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide

C124H127ClF13N15O5 — CID 159836177

IUPAC3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c3c(nn2-c2c(C)cccc2C)C(C)(C)N(CC(C)(C)C)C3)cc1.CC(=O)c1ccc(-c2c3c(nn2-c2c(C)cccc2C)C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C3)cc1.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1cc(C(F)(F)F)ccc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C
InChIInChI=1S/2C34H35F5N4O.C28H21ClF3N3O2.C28H36N4O/c1-7-21-10-9-11-22(8-2)30(21)43-31(25-15-28(36)29(16-27(25)35)40-20(4)44)26-18-42(33(5,6)32(26)41-43)17-23-12-13-24(14-19(23)3)34(37,38)39;1-7-21-10-9-11-22(8-2)30(21)43-31(25-15-28(36)29(16-27(25)35)40-20(4)44)26-18-42(33(5,6)32(26)41-43)17-23-14-24(34(37,38)39)13-12-19(23)3;1-15-5-4-6-16(2)25(15)35-26(19-9-7-18(8-10-19)17(3)36)21-14-34(27(37)24(21)33-35)20-11-12-22(23(29)13-20)28(30,31)32;1-18-10-9-11-19(2)24(18)32-25(21-12-14-22(15-13-21)29-20(3)33)23-16-31(17-27(4,5)6)28(7,8)26(23)30-32/h2*9-16H,7-8,17-18H2,1-6H3,(H,40,44);4-13H,14H2,1-3H3;9-15H,16-17H2,1-8H3,(H,29,33)
InChIKeyNOCIYEOADFUZSS-UHFFFAOYSA-N
MW2189.91 g/mol
LogP30.36
Rot. Bonds22

About 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide

3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide (PubChem CID 159836177) has the molecular formula C124H127ClF13N15O5 and a molecular weight of 2189.91 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide
PubChem CID159836177
Molecular FormulaC124H127ClF13N15O5
Molecular Weight2189.91 g/mol
Exact Mass2187.96
IUPAC Name3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c3c(nn2-c2c(C)cccc2C)C(C)(C)N(CC(C)(C)C)C3)cc1.CC(=O)c1ccc(-c2c3c(nn2-c2c(C)cccc2C)C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C3)cc1.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1cc(C(F)(F)F)ccc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C
InChIInChI=1S/2C34H35F5N4O.C28H21ClF3N3O2.C28H36N4O/c1-7-21-10-9-11-22(8-2)30(21)43-31(25-15-28(36)29(16-27(25)35)40-20(4)44)26-18-42(33(5,6)32(26)41-43)17-23-12-13-24(14-19(23)3)34(37,38)39;1-7-21-10-9-11-22(8-2)30(21)43-31(25-15-28(36)29(16-27(25)35)40-20(4)44)26-18-42(33(5,6)32(26)41-43)17-23-14-24(34(37,38)39)13-12-19(23)3;1-15-5-4-6-16(2)25(15)35-26(19-9-7-18(8-10-19)17(3)36)21-14-34(27(37)24(21)33-35)20-11-12-22(23(29)13-20)28(30,31)32;1-18-10-9-11-19(2)24(18)32-25(21-12-14-22(15-13-21)29-20(3)33)23-16-31(17-27(4,5)6)28(7,8)26(23)30-32/h2*9-16H,7-8,17-18H2,1-6H3,(H,40,44);4-13H,14H2,1-3H3;9-15H,16-17H2,1-8H3,(H,29,33)
InChIKeyNOCIYEOADFUZSS-UHFFFAOYSA-N
XLogP30.36
TPSA205.68 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002189.91
LogP ≤ 530.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide?
The IUPAC name of 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide (CID 159836177) is 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2c3c(nn2-c2c(C)cccc2C)C(C)(C)N(CC(C)(C)C)C3)cc1.CC(=O)c1ccc(-c2c3c(nn2-c2c(C)cccc2C)C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C3)cc1.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1cc(C(F)(F)F)ccc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.
What is the InChIKey of 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide?
The InChIKey is NOCIYEOADFUZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H35F5N4O.C28H21ClF3N3O2.C28H36N4O/c1-7-21-10-9-11-22(8-2)30(21)43-31(25-15-28(36)29(16-27(25)35)40-20(4)44)26-18-42(33(5,6)32(26)41-43)17-23-12-13-24(14-19(23)3)34(37,38)39;1-7-21-10-9-11-22(8-2)30(21)43-31(25-15-28(36)29(16-27(25)35)40-20(4)44)26-18-42(33(5,6)32(26)41-43)17-23-14-24(34(37,38)39)13-12-19(23)3;1-15-5-4-6-16(2)25(15)35-26(19-9-7-18(8-10-19)17(3)36)21-14-34(27(37)24(21)33-35)20-11-12-22(23(29)13-20)28(30,31)32;1-18-10-9-11-19(2)24(18)32-25(21-12-14-22(15-13-21)29-20(3)33)23-16-31(17-27(4,5)6)28(7,8)26(23)30-32/h2*9-16H,7-8,17-18H2,1-6H3,(H,40,44);4-13H,14H2,1-3H3;9-15H,16-17H2,1-8H3,(H,29,33).
What are the key properties of 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide?
3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide has a molecular weight of 2189.91 g/mol, XLogP of 30.36, 22 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 159836177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).