2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one

C26H23N3O — CID 73441442

IUPAC2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(C2NC(=O)c3nn(-c4cc(C)cc(C)c4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C26H23N3O/c1-16-9-11-19(12-10-16)23-22-24(26(30)27-23)28-29(21-14-17(2)13-18(3)15-21)25(22)20-7-5-4-6-8-20/h4-15,23H,1-3H3,(H,27,30)
InChIKeyRHHFGAWTZPTTDR-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.30
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one

2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 73441442) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID73441442
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(C2NC(=O)c3nn(-c4cc(C)cc(C)c4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C26H23N3O/c1-16-9-11-19(12-10-16)23-22-24(26(30)27-23)28-29(21-14-17(2)13-18(3)15-21)25(22)20-7-5-4-6-8-20/h4-15,23H,1-3H3,(H,27,30)
InChIKeyRHHFGAWTZPTTDR-UHFFFAOYSA-N
XLogP5.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one with MolForge

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Related Compounds

4-(4-bromophenyl)-1-(3,5-dimethylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 73441441
1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 73441162
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole
CID 134910224
1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 73441163
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3859853
4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole
CID 19587037
(4S)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909863
3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620727
4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole
CID 146162067

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 73441442) is 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1ccc(C2NC(=O)c3nn(-c4cc(C)cc(C)c4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is RHHFGAWTZPTTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-16-9-11-19(12-10-16)23-22-24(26(30)27-23)28-29(21-14-17(2)13-18(3)15-21)25(22)20-7-5-4-6-8-20/h4-15,23H,1-3H3,(H,27,30).
What are the key properties of 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one?
2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 393.49 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4-(4-methylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 73441442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).