(7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C13H20N4O2 — CID 163276645

IUPAC(7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21
InChIInChI=1S/C13H20N4O2/c1-3-10-7-14-13(18)11-6-12(15-17(10)11)16-4-5-19-8-9(16)2/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,18)/t9-,10+/m1/s1
InChIKeyJUTTZZKQKJYQCE-ZJUUUORDSA-N
MW264.33 g/mol
LogP0.80
Rot. Bonds2

About (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276645) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276645
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21
InChIInChI=1S/C13H20N4O2/c1-3-10-7-14-13(18)11-6-12(15-17(10)11)16-4-5-19-8-9(16)2/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,18)/t9-,10+/m1/s1
InChIKeyJUTTZZKQKJYQCE-ZJUUUORDSA-N
XLogP0.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276645) is (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21.
What is the InChIKey of (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JUTTZZKQKJYQCE-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-10-7-14-13(18)11-6-12(15-17(10)11)16-4-5-19-8-9(16)2/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,18)/t9-,10+/m1/s1.
What are the key properties of (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 264.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).