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

C8H11N3O2 — CID 118861703

IUPAC(7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOC[C@@H]1CNC(=O)c2ccnn21
InChIInChI=1S/C8H11N3O2/c1-13-5-6-4-9-8(12)7-2-3-10-11(6)7/h2-3,6H,4-5H2,1H3,(H,9,12)/t6-/m0/s1
InChIKeyZUROVDIFEFXRSN-LURJTMIESA-N
MW181.19 g/mol
LogP-0.19
Rot. Bonds2

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

(7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118861703) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID118861703
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOC[C@@H]1CNC(=O)c2ccnn21
InChIInChI=1S/C8H11N3O2/c1-13-5-6-4-9-8(12)7-2-3-10-11(6)7/h2-3,6H,4-5H2,1H3,(H,9,12)/t6-/m0/s1
InChIKeyZUROVDIFEFXRSN-LURJTMIESA-N
XLogP-0.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 118861703) is (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COC[C@@H]1CNC(=O)c2ccnn21.
What is the InChIKey of (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZUROVDIFEFXRSN-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-5-6-4-9-8(12)7-2-3-10-11(6)7/h2-3,6H,4-5H2,1H3,(H,9,12)/t6-/m0/s1.
What are the key properties of (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 181.19 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118861703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).