5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

C16H23N5O3 — CID 56704517

IUPAC5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCOCCN1CCCC(O)(CN2CCn3nc(C#N)cc3C2)C1=O
InChIInChI=1S/C16H23N5O3/c1-24-8-7-20-4-2-3-16(23,15(20)22)12-19-5-6-21-14(11-19)9-13(10-17)18-21/h9,23H,2-8,11-12H2,1H3
InChIKeyYOXYFOIJAXKFGV-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.43
Rot. Bonds5

About 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 56704517) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID56704517
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCOCCN1CCCC(O)(CN2CCn3nc(C#N)cc3C2)C1=O
InChIInChI=1S/C16H23N5O3/c1-24-8-7-20-4-2-3-16(23,15(20)22)12-19-5-6-21-14(11-19)9-13(10-17)18-21/h9,23H,2-8,11-12H2,1H3
InChIKeyYOXYFOIJAXKFGV-UHFFFAOYSA-N
XLogP-0.43
TPSA94.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 56704517) is 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is COCCN1CCCC(O)(CN2CCn3nc(C#N)cc3C2)C1=O.
What is the InChIKey of 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is YOXYFOIJAXKFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-24-8-7-20-4-2-3-16(23,15(20)22)12-19-5-6-21-14(11-19)9-13(10-17)18-21/h9,23H,2-8,11-12H2,1H3.
What are the key properties of 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 56704517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).