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

C19H24N4O2 — CID 164514454

IUPAC(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H]([C@@H](C)c1ccccc1)CNC2=O
InChIInChI=1S/C19H24N4O2/c1-13-12-25-9-8-22(13)18-10-16-19(24)20-11-17(23(16)21-18)14(2)15-6-4-3-5-7-15/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,20,24)/t13-,14+,17+/m1/s1
InChIKeyPUOKUBRIAQGYIA-KEYYUXOJSA-N
MW340.43 g/mol
LogP2.20
Rot. Bonds3

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

(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 164514454) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID164514454
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H]([C@@H](C)c1ccccc1)CNC2=O
InChIInChI=1S/C19H24N4O2/c1-13-12-25-9-8-22(13)18-10-16-19(24)20-11-17(23(16)21-18)14(2)15-6-4-3-5-7-15/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,20,24)/t13-,14+,17+/m1/s1
InChIKeyPUOKUBRIAQGYIA-KEYYUXOJSA-N
XLogP2.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 164514454) is (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1COCCN1c1cc2n(n1)[C@H]([C@@H](C)c1ccccc1)CNC2=O.
What is the InChIKey of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PUOKUBRIAQGYIA-KEYYUXOJSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-12-25-9-8-22(13)18-10-16-19(24)20-11-17(23(16)21-18)14(2)15-6-4-3-5-7-15/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,20,24)/t13-,14+,17+/m1/s1.
What are the key properties of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 340.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 164514454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).