ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one

C13H18N2O2 — CID 143937149

IUPACethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
SMILESCC.COc1cccc(-n2[nH]c(=O)cc2C)c1
InChIInChI=1S/C11H12N2O2.C2H6/c1-8-6-11(14)12-13(8)9-4-3-5-10(7-9)15-2;1-2/h3-7H,1-2H3,(H,12,14);1-2H3
InChIKeyNLUHIWZGJNHBIH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.51
Rot. Bonds2

About ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one

ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one (PubChem CID 143937149) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Nameethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
PubChem CID143937149
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
SMILESCC.COc1cccc(-n2[nH]c(=O)cc2C)c1
InChIInChI=1S/C11H12N2O2.C2H6/c1-8-6-11(14)12-13(8)9-4-3-5-10(7-9)15-2;1-2/h3-7H,1-2H3,(H,12,14);1-2H3
InChIKeyNLUHIWZGJNHBIH-UHFFFAOYSA-N
XLogP2.51
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 66920137
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508221
5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 130407768
5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione
CID 114798733
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
6-(3-methoxyphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione
CID 101011150
4-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazol-3-one
CID 83888721
1-(3-methoxyphenyl)pyridin-4-one
CID 86100298

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one?
The IUPAC name of ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one (CID 143937149) is ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one.
What is the SMILES notation for ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one?
The canonical SMILES for ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one is CC.COc1cccc(-n2[nH]c(=O)cc2C)c1.
What is the InChIKey of ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one?
The InChIKey is NLUHIWZGJNHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C2H6/c1-8-6-11(14)12-13(8)9-4-3-5-10(7-9)15-2;1-2/h3-7H,1-2H3,(H,12,14);1-2H3.
What are the key properties of ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one?
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one has a molecular weight of 234.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 143937149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).