3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one

C19H17N3O — CID 134135906

IUPAC3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one
SMILESCc1ccc(-n2nc(C)c3c2CN(c2ccccc2)C3=O)cc1
InChIInChI=1S/C19H17N3O/c1-13-8-10-16(11-9-13)22-17-12-21(15-6-4-3-5-7-15)19(23)18(17)14(2)20-22/h3-11H,12H2,1-2H3
InChIKeyLNTALPUTXSALQP-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.65
Rot. Bonds2

About 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one

3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one (PubChem CID 134135906) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one
PubChem CID134135906
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one
SMILESCc1ccc(-n2nc(C)c3c2CN(c2ccccc2)C3=O)cc1
InChIInChI=1S/C19H17N3O/c1-13-8-10-16(11-9-13)22-17-12-21(15-6-4-3-5-7-15)19(23)18(17)14(2)20-22/h3-11H,12H2,1-2H3
InChIKeyLNTALPUTXSALQP-UHFFFAOYSA-N
XLogP3.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one (CID 134135906) is 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one is Cc1ccc(-n2nc(C)c3c2CN(c2ccccc2)C3=O)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one?
The InChIKey is LNTALPUTXSALQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-8-10-16(11-9-13)22-17-12-21(15-6-4-3-5-7-15)19(23)18(17)14(2)20-22/h3-11H,12H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one?
3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one has a molecular weight of 303.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one is sourced from PubChem (CID 134135906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).