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

C16H19FN2O2 — CID 69286304

IUPAC2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one
SMILESCOc1ccc(Cc2c(C)n(C3CCC3)[nH]c2=O)c(F)c1
InChIInChI=1S/C16H19FN2O2/c1-10-14(16(20)18-19(10)12-4-3-5-12)8-11-6-7-13(21-2)9-15(11)17/h6-7,9,12H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyHIARFIIHNDQBDH-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.95
Rot. Bonds4

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

2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one (PubChem CID 69286304) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one
PubChem CID69286304
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one
SMILESCOc1ccc(Cc2c(C)n(C3CCC3)[nH]c2=O)c(F)c1
InChIInChI=1S/C16H19FN2O2/c1-10-14(16(20)18-19(10)12-4-3-5-12)8-11-6-7-13(21-2)9-15(11)17/h6-7,9,12H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyHIARFIIHNDQBDH-UHFFFAOYSA-N
XLogP2.95
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)-hydroxymethyl]-3-methyl-1H-pyrazol-5-one
CID 71220882
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 102879788
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one?
The IUPAC name of 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one (CID 69286304) is 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one?
The canonical SMILES for 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one is COc1ccc(Cc2c(C)n(C3CCC3)[nH]c2=O)c(F)c1.
What is the InChIKey of 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one?
The InChIKey is HIARFIIHNDQBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-10-14(16(20)18-19(10)12-4-3-5-12)8-11-6-7-13(21-2)9-15(11)17/h6-7,9,12H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one?
2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one has a molecular weight of 290.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 69286304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).