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

C11H11FN2O2 — CID 112694568

IUPAC5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(C)C(=O)C2)cc1F
InChIInChI=1S/C11H11FN2O2/c1-14-11(15)6-9(13-14)7-3-4-10(16-2)8(12)5-7/h3-5H,6H2,1-2H3
InChIKeyIEJVKRYNRYCHRQ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.40
Rot. Bonds2

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

5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one (PubChem CID 112694568) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
PubChem CID112694568
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(C)C(=O)C2)cc1F
InChIInChI=1S/C11H11FN2O2/c1-14-11(15)6-9(13-14)7-3-4-10(16-2)8(12)5-7/h3-5H,6H2,1-2H3
InChIKeyIEJVKRYNRYCHRQ-UHFFFAOYSA-N
XLogP1.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one
CID 165389188
3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 65096147
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
4-(4-ethenylphenyl)-2-fluoro-1-methoxybenzene
CID 25270619
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 118221082
5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827395
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione
CID 58393490
3-(3-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 82083568

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one (CID 112694568) is 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one is COc1ccc(C2=NN(C)C(=O)C2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one?
The InChIKey is IEJVKRYNRYCHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-14-11(15)6-9(13-14)7-3-4-10(16-2)8(12)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one?
5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one has a molecular weight of 222.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 112694568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).