5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione

C14H12N2O2 — CID 15945911

IUPAC5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione
SMILESCc1c(C)n2c(=O)cc(-c3ccccc3)n2c1=O
InChIInChI=1S/C14H12N2O2/c1-9-10(2)15-13(17)8-12(16(15)14(9)18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyOSJUKJYZNISLCA-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.48
Rot. Bonds1

About 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione

5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione (PubChem CID 15945911) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione.

Molecular Properties

Compound Name5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione
PubChem CID15945911
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione
SMILESCc1c(C)n2c(=O)cc(-c3ccccc3)n2c1=O
InChIInChI=1S/C14H12N2O2/c1-9-10(2)15-13(17)8-12(16(15)14(9)18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyOSJUKJYZNISLCA-UHFFFAOYSA-N
XLogP1.48
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione?
The IUPAC name of 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione (CID 15945911) is 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione.
What is the SMILES notation for 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione?
The canonical SMILES for 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione is Cc1c(C)n2c(=O)cc(-c3ccccc3)n2c1=O.
What is the InChIKey of 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione?
The InChIKey is OSJUKJYZNISLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-10(2)15-13(17)8-12(16(15)14(9)18)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione?
5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione has a molecular weight of 240.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-phenylpyrazolo[1,2-a]pyrazole-3,7-dione is sourced from PubChem (CID 15945911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).