1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione

C14H20N2O2 — CID 20707311

IUPAC1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione
SMILESCc1c(C(C)C)c(=O)n2c(=O)c(C(C)C)c(C)n12
InChIInChI=1S/C14H20N2O2/c1-7(2)11-9(5)15-10(6)12(8(3)4)14(18)16(15)13(11)17/h7-8H,1-6H3
InChIKeyHSIJPBZVZQMSBU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.06
Rot. Bonds2

About 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione

1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione (PubChem CID 20707311) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione.

Molecular Properties

Compound Name1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione
PubChem CID20707311
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione
SMILESCc1c(C(C)C)c(=O)n2c(=O)c(C(C)C)c(C)n12
InChIInChI=1S/C14H20N2O2/c1-7(2)11-9(5)15-10(6)12(8(3)4)14(18)16(15)13(11)17/h7-8H,1-6H3
InChIKeyHSIJPBZVZQMSBU-UHFFFAOYSA-N
XLogP2.06
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione?
The IUPAC name of 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione (CID 20707311) is 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione.
What is the SMILES notation for 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione?
The canonical SMILES for 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione is Cc1c(C(C)C)c(=O)n2c(=O)c(C(C)C)c(C)n12.
What is the InChIKey of 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione?
The InChIKey is HSIJPBZVZQMSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-7(2)11-9(5)15-10(6)12(8(3)4)14(18)16(15)13(11)17/h7-8H,1-6H3.
What are the key properties of 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione?
1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione has a molecular weight of 248.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,6-di(propan-2-yl)pyrazolo[1,2-a]pyrazole-3,5-dione is sourced from PubChem (CID 20707311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).