2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone

C14H16N2O3 — CID 63960954

IUPAC2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCOc1ccc(CC(=O)c2ccnn2C)cc1OC
InChIInChI=1S/C14H16N2O3/c1-16-11(6-7-15-16)12(17)8-10-4-5-13(18-2)14(9-10)19-3/h4-7,9H,8H2,1-3H3
InChIKeyWZBKGNHBRLIXAB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.86
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone (PubChem CID 63960954) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
PubChem CID63960954
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCOc1ccc(CC(=O)c2ccnn2C)cc1OC
InChIInChI=1S/C14H16N2O3/c1-16-11(6-7-15-16)12(17)8-10-4-5-13(18-2)14(9-10)19-3/h4-7,9H,8H2,1-3H3
InChIKeyWZBKGNHBRLIXAB-UHFFFAOYSA-N
XLogP1.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685647
2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone
CID 114272615
3-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 4866840
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one
CID 158858743
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 105090450
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972670
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone (CID 63960954) is 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone is COc1ccc(CC(=O)c2ccnn2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone?
The InChIKey is WZBKGNHBRLIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-11(6-7-15-16)12(17)8-10-4-5-13(18-2)14(9-10)19-3/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone has a molecular weight of 260.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 63960954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).