2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one

C16H19FN2O — CID 69286278

IUPAC2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one
SMILESCc1ccc(Cc2c(C)n(C3CCC3)[nH]c2=O)cc1F
InChIInChI=1S/C16H19FN2O/c1-10-6-7-12(9-15(10)17)8-14-11(2)19(18-16(14)20)13-4-3-5-13/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyVWKHNJZGLHFQMJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.25
Rot. Bonds3

About 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one

2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one (PubChem CID 69286278) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one
PubChem CID69286278
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one
SMILESCc1ccc(Cc2c(C)n(C3CCC3)[nH]c2=O)cc1F
InChIInChI=1S/C16H19FN2O/c1-10-6-7-12(9-15(10)17)8-14-11(2)19(18-16(14)20)13-4-3-5-13/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyVWKHNJZGLHFQMJ-UHFFFAOYSA-N
XLogP3.25
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one?
The IUPAC name of 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one (CID 69286278) is 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one?
The canonical SMILES for 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one is Cc1ccc(Cc2c(C)n(C3CCC3)[nH]c2=O)cc1F.
What is the InChIKey of 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one?
The InChIKey is VWKHNJZGLHFQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10-6-7-12(9-15(10)17)8-14-11(2)19(18-16(14)20)13-4-3-5-13/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one?
2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one has a molecular weight of 274.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 69286278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).