5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

C9H13N3O2 — CID 123953064

IUPAC5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCc1cnn(CC2CNC(=O)O2)c1
InChIInChI=1S/C9H13N3O2/c1-2-7-3-11-12(5-7)6-8-4-10-9(13)14-8/h3,5,8H,2,4,6H2,1H3,(H,10,13)
InChIKeyJDIBLRDCLXYUPT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.55
Rot. Bonds3

About 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 123953064) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID123953064
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCc1cnn(CC2CNC(=O)O2)c1
InChIInChI=1S/C9H13N3O2/c1-2-7-3-11-12(5-7)6-8-4-10-9(13)14-8/h3,5,8H,2,4,6H2,1H3,(H,10,13)
InChIKeyJDIBLRDCLXYUPT-UHFFFAOYSA-N
XLogP0.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 123953064) is 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is CCc1cnn(CC2CNC(=O)O2)c1.
What is the InChIKey of 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is JDIBLRDCLXYUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-7-3-11-12(5-7)6-8-4-10-9(13)14-8/h3,5,8H,2,4,6H2,1H3,(H,10,13).
What are the key properties of 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123953064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).