1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one

C20H19N3O — CID 73441163

IUPAC1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCc1ccccc1-n1nc(C)c2c1C(=O)NC2c1ccccc1
InChIInChI=1S/C20H19N3O/c1-3-14-9-7-8-12-16(14)23-19-17(13(2)22-23)18(21-20(19)24)15-10-5-4-6-11-15/h4-12,18H,3H2,1-2H3,(H,21,24)
InChIKeyIHRKNYPZIGUDDJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.58
Rot. Bonds3

About 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one

1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 73441163) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID73441163
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCc1ccccc1-n1nc(C)c2c1C(=O)NC2c1ccccc1
InChIInChI=1S/C20H19N3O/c1-3-14-9-7-8-12-16(14)23-19-17(13(2)22-23)18(21-20(19)24)15-10-5-4-6-11-15/h4-12,18H,3H2,1-2H3,(H,21,24)
InChIKeyIHRKNYPZIGUDDJ-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 73441163) is 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one is CCc1ccccc1-n1nc(C)c2c1C(=O)NC2c1ccccc1.
What is the InChIKey of 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is IHRKNYPZIGUDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-3-14-9-7-8-12-16(14)23-19-17(13(2)22-23)18(21-20(19)24)15-10-5-4-6-11-15/h4-12,18H,3H2,1-2H3,(H,21,24).
What are the key properties of 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one?
1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 317.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-methyl-4-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 73441163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).