2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol

C16H21FN2O — CID 64785243

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2ccc(F)cc2C)n1
InChIInChI=1S/C16H21FN2O/c1-4-12(3)19-8-7-14(18-19)10-16(20)15-6-5-13(17)9-11(15)2/h5-9,12,16,20H,4,10H2,1-3H3
InChIKeyRFTZAUJEHVKBLW-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.58
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 64785243) 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-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID64785243
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2ccc(F)cc2C)n1
InChIInChI=1S/C16H21FN2O/c1-4-12(3)19-8-7-14(18-19)10-16(20)15-6-5-13(17)9-11(15)2/h5-9,12,16,20H,4,10H2,1-3H3
InChIKeyRFTZAUJEHVKBLW-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

Analyze 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105103311
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
CID 106859288
[1-(2-bromo-4-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312566
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 64784273
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol
CID 64783184
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
1-(2-amino-5-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 82683168

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol (CID 64785243) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol is CCC(C)n1ccc(CC(O)c2ccc(F)cc2C)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is RFTZAUJEHVKBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-4-12(3)19-8-7-14(18-19)10-16(20)15-6-5-13(17)9-11(15)2/h5-9,12,16,20H,4,10H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 64785243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).