diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C16H23I3N6O2 — CID 158552282

IUPACdiiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC.C[C@H]1CNC(=O)c2c(I)cnn21.C[C@H]1CNC(=O)c2ccnn21.ICI
InChIInChI=1S/C7H8IN3O.C7H9N3O.CH2I2.CH4/c1-4-2-9-7(12)6-5(8)3-10-11(4)6;1-5-4-8-7(11)6-2-3-9-10(5)6;2-1-3;/h3-4H,2H2,1H3,(H,9,12);2-3,5H,4H2,1H3,(H,8,11);1H2;1H4/t4-;5-;;/m00../s1
InChIKeyHPWDLQNSECWJMK-WNJGLKJRSA-N
MW712.11 g/mol
LogP3.43
Rot. Bonds

About diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 158552282) has the molecular formula C16H23I3N6O2 and a molecular weight of 712.11 g/mol. Its IUPAC name is diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Namediiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID158552282
Molecular FormulaC16H23I3N6O2
Molecular Weight712.11 g/mol
Exact Mass711.90
IUPAC Namediiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC.C[C@H]1CNC(=O)c2c(I)cnn21.C[C@H]1CNC(=O)c2ccnn21.ICI
InChIInChI=1S/C7H8IN3O.C7H9N3O.CH2I2.CH4/c1-4-2-9-7(12)6-5(8)3-10-11(4)6;1-5-4-8-7(11)6-2-3-9-10(5)6;2-1-3;/h3-4H,2H2,1H3,(H,9,12);2-3,5H,4H2,1H3,(H,8,11);1H2;1H4/t4-;5-;;/m00../s1
InChIKeyHPWDLQNSECWJMK-WNJGLKJRSA-N
XLogP3.43
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500712.11
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

ethyl (7S)-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 118700955
(7S)-7-methyl-3-[2-(methylamino)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 141420839
(7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118861703
3-iodo-7,7-dimethyl-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 121300390
3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide
CID 170713351
(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
CID 156847153
5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553934
4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 71464185
(7S)-3-iodo-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 158279765
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-3-iodo-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 159643492
(6S)-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125452787
(4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 68890685

Frequently Asked Questions

What is the IUPAC name of diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 158552282) is diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C.C[C@H]1CNC(=O)c2c(I)cnn21.C[C@H]1CNC(=O)c2ccnn21.ICI.
What is the InChIKey of diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HPWDLQNSECWJMK-WNJGLKJRSA-N. The full InChI is InChI=1S/C7H8IN3O.C7H9N3O.CH2I2.CH4/c1-4-2-9-7(12)6-5(8)3-10-11(4)6;1-5-4-8-7(11)6-2-3-9-10(5)6;2-1-3;/h3-4H,2H2,1H3,(H,9,12);2-3,5H,4H2,1H3,(H,8,11);1H2;1H4/t4-;5-;;/m00../s1.
What are the key properties of diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 712.11 g/mol, XLogP of 3.43, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomethane;(7S)-3-iodo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane;(7S)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 158552282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).