5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one

C21H24N8O2 — CID 121378464

IUPAC5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4CNC(=O)O4)c3)cn3nccc23)cn1
InChIInChI=1S/C21H24N8O2/c1-3-16(4-2)28-11-15(8-25-28)20-19-5-6-23-29(19)13-18(26-20)14-7-24-27(10-14)12-17-9-22-21(30)31-17/h5-8,10-11,13,16-17H,3-4,9,12H2,1-2H3,(H,22,30)
InChIKeyXBNDSSWRAWNRLV-UHFFFAOYSA-N
MW420.48 g/mol
LogP2.93
Rot. Bonds7

About 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 121378464) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID121378464
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4CNC(=O)O4)c3)cn3nccc23)cn1
InChIInChI=1S/C21H24N8O2/c1-3-16(4-2)28-11-15(8-25-28)20-19-5-6-23-29(19)13-18(26-20)14-7-24-27(10-14)12-17-9-22-21(30)31-17/h5-8,10-11,13,16-17H,3-4,9,12H2,1-2H3,(H,22,30)
InChIKeyXBNDSSWRAWNRLV-UHFFFAOYSA-N
XLogP2.93
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 121378464) is 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one is CCC(CC)n1cc(-c2nc(-c3cnn(CC4CNC(=O)O4)c3)cn3nccc23)cn1.
What is the InChIKey of 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XBNDSSWRAWNRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-3-16(4-2)28-11-15(8-25-28)20-19-5-6-23-29(19)13-18(26-20)14-7-24-27(10-14)12-17-9-22-21(30)31-17/h5-8,10-11,13,16-17H,3-4,9,12H2,1-2H3,(H,22,30).
What are the key properties of 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 420.48 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 121378464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).