1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione

C22H20N2O2 — CID 20707308

IUPAC1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
SMILESCc1c(Cc2ccccc2)n2c(Cc3ccccc3)c(C)c(=O)n2c1=O
InChIInChI=1S/C22H20N2O2/c1-15-19(13-17-9-5-3-6-10-17)23-20(14-18-11-7-4-8-12-18)16(2)22(26)24(23)21(15)25/h3-12H,13-14H2,1-2H3
InChIKeyZHPMZAFWYGFVPE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.00
Rot. Bonds4

About 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione

1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione (PubChem CID 20707308) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione.

Molecular Properties

Compound Name1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
PubChem CID20707308
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
SMILESCc1c(Cc2ccccc2)n2c(Cc3ccccc3)c(C)c(=O)n2c1=O
InChIInChI=1S/C22H20N2O2/c1-15-19(13-17-9-5-3-6-10-17)23-20(14-18-11-7-4-8-12-18)16(2)22(26)24(23)21(15)25/h3-12H,13-14H2,1-2H3
InChIKeyZHPMZAFWYGFVPE-UHFFFAOYSA-N
XLogP3.00
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione?
The IUPAC name of 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione (CID 20707308) is 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione.
What is the SMILES notation for 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione?
The canonical SMILES for 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione is Cc1c(Cc2ccccc2)n2c(Cc3ccccc3)c(C)c(=O)n2c1=O.
What is the InChIKey of 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione?
The InChIKey is ZHPMZAFWYGFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-19(13-17-9-5-3-6-10-17)23-20(14-18-11-7-4-8-12-18)16(2)22(26)24(23)21(15)25/h3-12H,13-14H2,1-2H3.
What are the key properties of 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione?
1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione has a molecular weight of 344.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione is sourced from PubChem (CID 20707308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).