1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one

C20H19N3O — CID 73441162

IUPAC1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1cc(C)cc(-n2nc(C)c3c2C(=O)NC3c2ccccc2)c1
InChIInChI=1S/C20H19N3O/c1-12-9-13(2)11-16(10-12)23-19-17(14(3)22-23)18(21-20(19)24)15-7-5-4-6-8-15/h4-11,18H,1-3H3,(H,21,24)
InChIKeySFPITGLISQBWRO-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.63
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one

1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 73441162) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID73441162
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1cc(C)cc(-n2nc(C)c3c2C(=O)NC3c2ccccc2)c1
InChIInChI=1S/C20H19N3O/c1-12-9-13(2)11-16(10-12)23-19-17(14(3)22-23)18(21-20(19)24)15-7-5-4-6-8-15/h4-11,18H,1-3H3,(H,21,24)
InChIKeySFPITGLISQBWRO-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 73441162) is 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one is Cc1cc(C)cc(-n2nc(C)c3c2C(=O)NC3c2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is SFPITGLISQBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12-9-13(2)11-16(10-12)23-19-17(14(3)22-23)18(21-20(19)24)15-7-5-4-6-8-15/h4-11,18H,1-3H3,(H,21,24).
What are the key properties of 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one?
1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 317.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 73441162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).