3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one

C8H10IN3O — CID 121300390

IUPAC3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1(C)CNC(=O)c2c(I)cnn21
InChIInChI=1S/C8H10IN3O/c1-8(2)4-10-7(13)6-5(9)3-11-12(6)8/h3H,4H2,1-2H3,(H,10,13)
InChIKeyRJDQSDKCSICUTG-UHFFFAOYSA-N
MW291.09 g/mol
LogP0.97
Rot. Bonds

About 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one

3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 121300390) has the molecular formula C8H10IN3O and a molecular weight of 291.09 g/mol. Its IUPAC name is 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID121300390
Molecular FormulaC8H10IN3O
Molecular Weight291.09 g/mol
Exact Mass290.99
IUPAC Name3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1(C)CNC(=O)c2c(I)cnn21
InChIInChI=1S/C8H10IN3O/c1-8(2)4-10-7(13)6-5(9)3-11-12(6)8/h3H,4H2,1-2H3,(H,10,13)
InChIKeyRJDQSDKCSICUTG-UHFFFAOYSA-N
XLogP0.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
N-cyclopentyl-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 903107
N-cyclohexyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 903180
3-bromo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 118048223
4-iodo-1-methyl-1H-pyrazole-5-carboxamide
CID 3753008
3-(aminomethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 138991240
7-hydroxy-3-iodo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 146049539
3-ethynyl-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 168492430
N-cyclohexyl-4-iodo-2-methylpyrazole-3-carboxamide
CID 713201
4-Iodo-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19262122
4-iodo-N,1-dimethylpyrazole-5-carboxamide
CID 19476262
7-iodo-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 155821807

Frequently Asked Questions

What is the IUPAC name of 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 121300390) is 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one is CC1(C)CNC(=O)c2c(I)cnn21.
What is the InChIKey of 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RJDQSDKCSICUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O/c1-8(2)4-10-7(13)6-5(9)3-11-12(6)8/h3H,4H2,1-2H3,(H,10,13).
What are the key properties of 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 291.09 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 121300390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).