5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one

C13H16N2O2 — CID 114798023

IUPAC5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2cccc(OC)c2)c(=O)c1C
InChIInChI=1S/C13H16N2O2/c1-4-12-9(2)13(16)15(14-12)10-6-5-7-11(8-10)17-3/h5-8,14H,4H2,1-3H3
InChIKeyGSYHDMODCLPUBK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.05
Rot. Bonds3

About 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one

5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one (PubChem CID 114798023) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
PubChem CID114798023
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2cccc(OC)c2)c(=O)c1C
InChIInChI=1S/C13H16N2O2/c1-4-12-9(2)13(16)15(14-12)10-6-5-7-11(8-10)17-3/h5-8,14H,4H2,1-3H3
InChIKeyGSYHDMODCLPUBK-UHFFFAOYSA-N
XLogP2.05
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123980
2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508221
5-ethyl-4-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazol-3-one
CID 117124091
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
4-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazol-3-one
CID 83888721
2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 66920137
5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione
CID 114798733
2-(4-methoxyphenyl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-5-propyl-1H-pyrazol-3-one
CID 135624630
3-[3-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117123164
1-(3-methoxyphenyl)pyridin-4-one
CID 86100298

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one (CID 114798023) is 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one is CCc1[nH]n(-c2cccc(OC)c2)c(=O)c1C.
What is the InChIKey of 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one?
The InChIKey is GSYHDMODCLPUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-12-9(2)13(16)15(14-12)10-6-5-7-11(8-10)17-3/h5-8,14H,4H2,1-3H3.
What are the key properties of 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one?
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one has a molecular weight of 232.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 114798023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).