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

C12H15F3N4O2 — CID 163276679

IUPAC(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C(F)(F)F)CNC2=O
InChIInChI=1S/C12H15F3N4O2/c1-7-6-21-3-2-18(7)10-4-8-11(20)16-5-9(12(13,14)15)19(8)17-10/h4,7,9H,2-3,5-6H2,1H3,(H,16,20)/t7-,9+/m1/s1
InChIKeyWCVYPEQEJGHVSX-APPZFPTMSA-N
MW304.27 g/mol
LogP0.95
Rot. Bonds1

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

(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276679) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276679
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C(F)(F)F)CNC2=O
InChIInChI=1S/C12H15F3N4O2/c1-7-6-21-3-2-18(7)10-4-8-11(20)16-5-9(12(13,14)15)19(8)17-10/h4,7,9H,2-3,5-6H2,1H3,(H,16,20)/t7-,9+/m1/s1
InChIKeyWCVYPEQEJGHVSX-APPZFPTMSA-N
XLogP0.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276679) is (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1COCCN1c1cc2n(n1)[C@H](C(F)(F)F)CNC2=O.
What is the InChIKey of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WCVYPEQEJGHVSX-APPZFPTMSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-7-6-21-3-2-18(7)10-4-8-11(20)16-5-9(12(13,14)15)19(8)17-10/h4,7,9H,2-3,5-6H2,1H3,(H,16,20)/t7-,9+/m1/s1.
What are the key properties of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 304.27 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).