6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one

C15H17N3O2 — CID 139343744

IUPAC6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one
SMILESCC1NC(=O)COC1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H17N3O2/c1-11-15(20-10-14(19)17-11)13-7-16-18(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,15H,8,10H2,1H3,(H,17,19)
InChIKeyYISWYZIKOXYVED-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds3

About 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one

6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one (PubChem CID 139343744) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one
PubChem CID139343744
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one
SMILESCC1NC(=O)COC1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H17N3O2/c1-11-15(20-10-14(19)17-11)13-7-16-18(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,15H,8,10H2,1H3,(H,17,19)
InChIKeyYISWYZIKOXYVED-UHFFFAOYSA-N
XLogP1.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one?
The IUPAC name of 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one (CID 139343744) is 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one.
What is the SMILES notation for 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one?
The canonical SMILES for 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one is CC1NC(=O)COC1c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one?
The InChIKey is YISWYZIKOXYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-15(20-10-14(19)17-11)13-7-16-18(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,15H,8,10H2,1H3,(H,17,19).
What are the key properties of 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one?
6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one has a molecular weight of 271.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one is sourced from PubChem (CID 139343744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).