(6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C8H10BrN3O2 — CID 172830637

IUPAC(6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOC[C@@H]1Cn2nc(Br)cc2C(=O)N1
InChIInChI=1S/C8H10BrN3O2/c1-14-4-5-3-12-6(8(13)10-5)2-7(9)11-12/h2,5H,3-4H2,1H3,(H,10,13)/t5-/m0/s1
InChIKeyVLSYDUCMEMSCBS-YFKPBYRVSA-N
MW260.09 g/mol
LogP0.40
Rot. Bonds2

About (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 172830637) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID172830637
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name(6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOC[C@@H]1Cn2nc(Br)cc2C(=O)N1
InChIInChI=1S/C8H10BrN3O2/c1-14-4-5-3-12-6(8(13)10-5)2-7(9)11-12/h2,5H,3-4H2,1H3,(H,10,13)/t5-/m0/s1
InChIKeyVLSYDUCMEMSCBS-YFKPBYRVSA-N
XLogP0.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

(3R)-6-bromo-3-(methoxymethyl)-2,3-dihydropyrrolo[1,2-c]imidazol-1-one
CID 146270260
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CID 81082002
2-bromo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276701
1-[(2R,5R)-2-(2-bromo-6-chloro-4-pyridinyl)-5-(methoxymethyl)piperazin-1-yl]ethanone
CID 176590999
2-methyl-5,6-dihydroimidazo[1,5-b]pyrazol-4-one
CID 89069661
5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 130577854
(6R)-2-bromo-4,6-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327974
2-(methoxymethyl)piperidin-4-one
CID 82651344
(7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118861703
4-ethyl-3-(methoxymethyl)cyclohexan-1-one
CID 165497179
2-(methoxymethyl)azetidine
CID 58227482
3-bromo-5-[(3-fluoroazetidin-1-yl)methyl]-1-methylpyrazole
CID 131153700

Frequently Asked Questions

What is the IUPAC name of (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 172830637) is (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COC[C@@H]1Cn2nc(Br)cc2C(=O)N1.
What is the InChIKey of (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VLSYDUCMEMSCBS-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-14-4-5-3-12-6(8(13)10-5)2-7(9)11-12/h2,5H,3-4H2,1H3,(H,10,13)/t5-/m0/s1.
What are the key properties of (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 260.09 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-bromo-6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 172830637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).