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

C14H22N4O2 — CID 163276622

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21
InChIInChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12-/m1/s1
InChIKeyCYPSSQPWVAKPSS-ZYHUDNBSSA-N
MW278.36 g/mol
LogP1.05
Rot. Bonds2

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

(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276622) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276622
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21
InChIInChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12-/m1/s1
InChIKeyCYPSSQPWVAKPSS-ZYHUDNBSSA-N
XLogP1.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.05
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-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276622) is (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-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-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(C)[C@H]1CNC(=O)c2cc(N3CCOC[C@H]3C)nn21.
What is the InChIKey of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CYPSSQPWVAKPSS-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12-/m1/s1.
What are the key properties of (7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-2-[(3R)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 278.36 g/mol, XLogP of 1.05, 2 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-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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