2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one

C13H16N2O2 — CID 66022710

IUPAC2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1cc(=O)n(-c2cc(C)ccc2C)[nH]1
InChIInChI=1S/C13H16N2O2/c1-9-4-5-10(2)12(6-9)15-13(16)7-11(14-15)8-17-3/h4-7,14H,8H2,1-3H3
InChIKeyLKVOZOGGQJNOEC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.93
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one

2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one (PubChem CID 66022710) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
PubChem CID66022710
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1cc(=O)n(-c2cc(C)ccc2C)[nH]1
InChIInChI=1S/C13H16N2O2/c1-9-4-5-10(2)12(6-9)15-13(16)7-11(14-15)8-17-3/h4-7,14H,8H2,1-3H3
InChIKeyLKVOZOGGQJNOEC-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one
CID 66020243
5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
CID 66020684
2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66020883
2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66022568
2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66021908
2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
CID 159947269
2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one
CID 115371870
2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
CID 76901434
1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole
CID 66016718
2-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66022551
2-(2,5-dimethylphenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66020242
2-(2,5-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbonitrile
CID 165485031

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one (CID 66022710) is 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one is COCc1cc(=O)n(-c2cc(C)ccc2C)[nH]1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The InChIKey is LKVOZOGGQJNOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-4-5-10(2)12(6-9)15-13(16)7-11(14-15)8-17-3/h4-7,14H,8H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one has a molecular weight of 232.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66022710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).