3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C19H22N4O4 — CID 90650998

IUPAC3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCn2nc(C(O)Cc3ccccc3)cc2C1
InChIInChI=1S/C19H22N4O4/c24-17(10-14-4-2-1-3-5-14)16-11-15-12-21(6-7-23(15)20-16)18(25)13-22-8-9-27-19(22)26/h1-5,11,17,24H,6-10,12-13H2
InChIKeyWTYAUTIMZWRLLV-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.95
Rot. Bonds5

About 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 90650998) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID90650998
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCn2nc(C(O)Cc3ccccc3)cc2C1
InChIInChI=1S/C19H22N4O4/c24-17(10-14-4-2-1-3-5-14)16-11-15-12-21(6-7-23(15)20-16)18(25)13-22-8-9-27-19(22)26/h1-5,11,17,24H,6-10,12-13H2
InChIKeyWTYAUTIMZWRLLV-UHFFFAOYSA-N
XLogP0.95
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 90650998) is 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCn2nc(C(O)Cc3ccccc3)cc2C1.
What is the InChIKey of 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is WTYAUTIMZWRLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17(10-14-4-2-1-3-5-14)16-11-15-12-21(6-7-23(15)20-16)18(25)13-22-8-9-27-19(22)26/h1-5,11,17,24H,6-10,12-13H2.
What are the key properties of 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 370.41 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90650998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).