2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one

C11H11FN2O2 — CID 66020883

IUPAC2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1cc(=O)n(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C11H11FN2O2/c1-16-7-9-6-11(15)14(13-9)10-4-2-3-8(12)5-10/h2-6,13H,7H2,1H3
InChIKeyWGWWJUFTNVGCJR-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.45
Rot. Bonds3

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

2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one (PubChem CID 66020883) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
PubChem CID66020883
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1cc(=O)n(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C11H11FN2O2/c1-16-7-9-6-11(15)14(13-9)10-4-2-3-8(12)5-10/h2-6,13H,7H2,1H3
InChIKeyWGWWJUFTNVGCJR-UHFFFAOYSA-N
XLogP1.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one (CID 66020883) is 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one is COCc1cc(=O)n(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The InChIKey is WGWWJUFTNVGCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-16-7-9-6-11(15)14(13-9)10-4-2-3-8(12)5-10/h2-6,13H,7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one has a molecular weight of 222.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66020883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).