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

C15H24N4O2 — CID 163276696

IUPAC(7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C(C)(C)C)CNC2=O
InChIInChI=1S/C15H24N4O2/c1-10-9-21-6-5-18(10)13-7-11-14(20)16-8-12(15(2,3)4)19(11)17-13/h7,10,12H,5-6,8-9H2,1-4H3,(H,16,20)/t10-,12+/m1/s1
InChIKeyVWHIVKSONBCOTG-PWSUYJOCSA-N
MW292.38 g/mol
LogP1.44
Rot. Bonds1

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

(7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276696) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276696
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C(C)(C)C)CNC2=O
InChIInChI=1S/C15H24N4O2/c1-10-9-21-6-5-18(10)13-7-11-14(20)16-8-12(15(2,3)4)19(11)17-13/h7,10,12H,5-6,8-9H2,1-4H3,(H,16,20)/t10-,12+/m1/s1
InChIKeyVWHIVKSONBCOTG-PWSUYJOCSA-N
XLogP1.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276696) is (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1COCCN1c1cc2n(n1)[C@H](C(C)(C)C)CNC2=O.
What is the InChIKey of (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VWHIVKSONBCOTG-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-9-21-6-5-18(10)13-7-11-14(20)16-8-12(15(2,3)4)19(11)17-13/h7,10,12H,5-6,8-9H2,1-4H3,(H,16,20)/t10-,12+/m1/s1.
What are the key properties of (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 292.38 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-tert-butyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).