2-benzyl-5-methyl-1H-pyrazol-3-one;ethane

C15H24N2O — CID 143774667

IUPAC2-benzyl-5-methyl-1H-pyrazol-3-one;ethane
SMILESCC.CC.Cc1cc(=O)n(Cc2ccccc2)[nH]1
InChIInChI=1S/C11H12N2O.2C2H6/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10;2*1-2/h2-7,12H,8H2,1H3;2*1-2H3
InChIKeyLVXSCDABIBIHKJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.59
Rot. Bonds2

About 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane

2-benzyl-5-methyl-1H-pyrazol-3-one;ethane (PubChem CID 143774667) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane.

Molecular Properties

Compound Name2-benzyl-5-methyl-1H-pyrazol-3-one;ethane
PubChem CID143774667
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-benzyl-5-methyl-1H-pyrazol-3-one;ethane
SMILESCC.CC.Cc1cc(=O)n(Cc2ccccc2)[nH]1
InChIInChI=1S/C11H12N2O.2C2H6/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10;2*1-2/h2-7,12H,8H2,1H3;2*1-2H3
InChIKeyLVXSCDABIBIHKJ-UHFFFAOYSA-N
XLogP3.59
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane?
The IUPAC name of 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane (CID 143774667) is 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane.
What is the SMILES notation for 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane?
The canonical SMILES for 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane is CC.CC.Cc1cc(=O)n(Cc2ccccc2)[nH]1.
What is the InChIKey of 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane?
The InChIKey is LVXSCDABIBIHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.2C2H6/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10;2*1-2/h2-7,12H,8H2,1H3;2*1-2H3.
What are the key properties of 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane?
2-benzyl-5-methyl-1H-pyrazol-3-one;ethane has a molecular weight of 248.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-1H-pyrazol-3-one;ethane is sourced from PubChem (CID 143774667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).