2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one

C12H14N2O2 — CID 131886198

IUPAC2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one
SMILESCOc1ccccc1CN1N=C(C)CC1=O
InChIInChI=1S/C12H14N2O2/c1-9-7-12(15)14(13-9)8-10-5-3-4-6-11(10)16-2/h3-6H,7-8H2,1-2H3
InChIKeyVXSFRBLYMIARBH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.80
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one

2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one (PubChem CID 131886198) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one
PubChem CID131886198
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one
SMILESCOc1ccccc1CN1N=C(C)CC1=O
InChIInChI=1S/C12H14N2O2/c1-9-7-12(15)14(13-9)8-10-5-3-4-6-11(10)16-2/h3-6H,7-8H2,1-2H3
InChIKeyVXSFRBLYMIARBH-UHFFFAOYSA-N
XLogP1.80
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623506
1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione;1-(isocyanatomethyl)-2-methoxybenzene
CID 158410319
3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 70040357
2-[(2-chlorophenyl)methyl]-5-(methoxymethyl)-4H-pyrazol-3-one
CID 63278748
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 115068112
(1R,2S,6S,7S)-4-[(2-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6544546
6-(2-hydroxyethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 115067735
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one (CID 131886198) is 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one is COc1ccccc1CN1N=C(C)CC1=O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one?
The InChIKey is VXSFRBLYMIARBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-7-12(15)14(13-9)8-10-5-3-4-6-11(10)16-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one?
2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 131886198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).