3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one

C24H19N3O — CID 44522996

IUPAC3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCc1c2c(nn1-c1ccccc1)C(c1ccccc1)N(c1ccccc1)C2=O
InChIInChI=1S/C24H19N3O/c1-17-21-22(25-27(17)20-15-9-4-10-16-20)23(18-11-5-2-6-12-18)26(24(21)28)19-13-7-3-8-14-19/h2-16,23H,1H3
InChIKeyVMEOTDOTDMGYLX-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.93
Rot. Bonds3

About 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one

3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 44522996) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID44522996
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCc1c2c(nn1-c1ccccc1)C(c1ccccc1)N(c1ccccc1)C2=O
InChIInChI=1S/C24H19N3O/c1-17-21-22(25-27(17)20-15-9-4-10-16-20)23(18-11-5-2-6-12-18)26(24(21)28)19-13-7-3-8-14-19/h2-16,23H,1H3
InChIKeyVMEOTDOTDMGYLX-UHFFFAOYSA-N
XLogP4.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 44522996) is 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one is Cc1c2c(nn1-c1ccccc1)C(c1ccccc1)N(c1ccccc1)C2=O.
What is the InChIKey of 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is VMEOTDOTDMGYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-17-21-22(25-27(17)20-15-9-4-10-16-20)23(18-11-5-2-6-12-18)26(24(21)28)19-13-7-3-8-14-19/h2-16,23H,1H3.
What are the key properties of 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 365.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5,6-triphenyl-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 44522996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).