2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol

C16H21FN2O — CID 115806312

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2cc(C)ccc2F)n1
InChIInChI=1S/C16H21FN2O/c1-4-12(3)19-8-7-13(18-19)10-16(20)14-9-11(2)5-6-15(14)17/h5-9,12,16,20H,4,10H2,1-3H3
InChIKeyHLUNLNFOAJFPNV-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.58
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol (PubChem CID 115806312) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
PubChem CID115806312
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2cc(C)ccc2F)n1
InChIInChI=1S/C16H21FN2O/c1-4-12(3)19-8-7-13(18-19)10-16(20)14-9-11(2)5-6-15(14)17/h5-9,12,16,20H,4,10H2,1-3H3
InChIKeyHLUNLNFOAJFPNV-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
CID 106859288
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223
1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771163
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 64784273
1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991712
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105103311
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041
[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204127

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol (CID 115806312) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol is CCC(C)n1ccc(CC(O)c2cc(C)ccc2F)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The InChIKey is HLUNLNFOAJFPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-4-12(3)19-8-7-13(18-19)10-16(20)14-9-11(2)5-6-15(14)17/h5-9,12,16,20H,4,10H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol has a molecular weight of 276.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 115806312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).