3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H18N4O3 — CID 146102929

IUPAC3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2ncc(C(=O)N3CCOC(c4ccccc4)C3)c21
InChIInChI=1S/C17H18N4O3/c22-16-15-13(10-19-21(15)7-6-18-16)17(23)20-8-9-24-14(11-20)12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H,18,22)
InChIKeyDCGOBOIUIQQOIP-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.84
Rot. Bonds2

About 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146102929) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID146102929
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2ncc(C(=O)N3CCOC(c4ccccc4)C3)c21
InChIInChI=1S/C17H18N4O3/c22-16-15-13(10-19-21(15)7-6-18-16)17(23)20-8-9-24-14(11-20)12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H,18,22)
InChIKeyDCGOBOIUIQQOIP-UHFFFAOYSA-N
XLogP0.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
CID 16894693
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 37077198
(2-phenylmorpholin-4-yl)-piperidin-2-ylmethanone
CID 60962617
4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one
CID 95859088
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 146102929) is 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2ncc(C(=O)N3CCOC(c4ccccc4)C3)c21.
What is the InChIKey of 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DCGOBOIUIQQOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16-15-13(10-19-21(15)7-6-18-16)17(23)20-8-9-24-14(11-20)12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H,18,22).
What are the key properties of 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 326.36 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmorpholine-4-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146102929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).