4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide

C28H25F3N4O — CID 138750587

IUPAC4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
SMILESCc1ccc(N2Cc3nn(-c4c(C)cccc4C)c(-c4ccc(C(N)=O)cc4)c3C2)cc1C(F)(F)F
InChIInChI=1S/C28H25F3N4O/c1-16-7-12-21(13-23(16)28(29,30)31)34-14-22-24(15-34)33-35(25-17(2)5-4-6-18(25)3)26(22)19-8-10-20(11-9-19)27(32)36/h4-13H,14-15H2,1-3H3,(H2,32,36)
InChIKeyMWPUKWQVSJWVGV-UHFFFAOYSA-N
MW490.53 g/mol
LogP6.10
Rot. Bonds4

About 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide

4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 138750587) has the molecular formula C28H25F3N4O and a molecular weight of 490.53 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
PubChem CID138750587
Molecular FormulaC28H25F3N4O
Molecular Weight490.53 g/mol
Exact Mass490.20
IUPAC Name4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
SMILESCc1ccc(N2Cc3nn(-c4c(C)cccc4C)c(-c4ccc(C(N)=O)cc4)c3C2)cc1C(F)(F)F
InChIInChI=1S/C28H25F3N4O/c1-16-7-12-21(13-23(16)28(29,30)31)34-14-22-24(15-34)33-35(25-17(2)5-4-6-18(25)3)26(22)19-8-10-20(11-9-19)27(32)36/h4-13H,14-15H2,1-3H3,(H2,32,36)
InChIKeyMWPUKWQVSJWVGV-UHFFFAOYSA-N
XLogP6.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(4-tert-butylbenzoyl)-2-(2,6-dimethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 138750378
1-[4-[2-(2,6-dimethylphenyl)-5-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]phenyl]ethanone
CID 161433328
4-[5-(2-tert-butylphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
CID 139296469
[4-[5-(5-tert-butyl-2-methylphenyl)-2-[2-methyl-6-(2-methylpropyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296405
[4-[5-(5-fluoro-2-methylphenyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296479
[4-[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296379
4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 175822642
4-[2-(2,6-dimethylphenyl)-5-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-propan-2-ylaniline
CID 157415341
4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10412689
ethane;1-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 143518780
4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71150213
[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 55029966

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide (CID 138750587) is 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide is Cc1ccc(N2Cc3nn(-c4c(C)cccc4C)c(-c4ccc(C(N)=O)cc4)c3C2)cc1C(F)(F)F.
What is the InChIKey of 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is MWPUKWQVSJWVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O/c1-16-7-12-21(13-23(16)28(29,30)31)34-14-22-24(15-34)33-35(25-17(2)5-4-6-18(25)3)26(22)19-8-10-20(11-9-19)27(32)36/h4-13H,14-15H2,1-3H3,(H2,32,36).
What are the key properties of 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide?
4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 490.53 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylphenyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 138750587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).