5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one

C17H18N4O2 — CID 135355162

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one
SMILESCNOc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2/c1-18-23-16-8-17(22)20(2)12-15(16)14-9-19-21(11-14)10-13-6-4-3-5-7-13/h3-9,11-12,18H,10H2,1-2H3
InChIKeyUGNBZYRKLOJYDK-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.81
Rot. Bonds5

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one (PubChem CID 135355162) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one
PubChem CID135355162
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one
SMILESCNOc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2/c1-18-23-16-8-17(22)20(2)12-15(16)14-9-19-21(11-14)10-13-6-4-3-5-7-13/h3-9,11-12,18H,10H2,1-2H3
InChIKeyUGNBZYRKLOJYDK-UHFFFAOYSA-N
XLogP1.81
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one (CID 135355162) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one is CNOc1cc(=O)n(C)cc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one?
The InChIKey is UGNBZYRKLOJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-18-23-16-8-17(22)20(2)12-15(16)14-9-19-21(11-14)10-13-6-4-3-5-7-13/h3-9,11-12,18H,10H2,1-2H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(methylaminooxy)pyridin-2-one is sourced from PubChem (CID 135355162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).