5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one

C11H11FN2O — CID 118538184

IUPAC5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccc(F)cc2)[nH]n(C)c1=O
InChIInChI=1S/C11H11FN2O/c1-7-10(13-14(2)11(7)15)8-3-5-9(12)6-4-8/h3-6,13H,1-2H3
InChIKeyWTFYTHWEUWZOPG-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.83
Rot. Bonds1

About 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one

5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one (PubChem CID 118538184) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one
PubChem CID118538184
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccc(F)cc2)[nH]n(C)c1=O
InChIInChI=1S/C11H11FN2O/c1-7-10(13-14(2)11(7)15)8-3-5-9(12)6-4-8/h3-6,13H,1-2H3
InChIKeyWTFYTHWEUWZOPG-UHFFFAOYSA-N
XLogP1.83
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one (CID 118538184) is 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one is Cc1c(-c2ccc(F)cc2)[nH]n(C)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one?
The InChIKey is WTFYTHWEUWZOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-10(13-14(2)11(7)15)8-3-5-9(12)6-4-8/h3-6,13H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one?
5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one has a molecular weight of 206.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2,4-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 118538184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).