1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol

C12H12BrFN2O — CID 114643164

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol
SMILESCn1ncc(Br)c1C(O)Cc1ccccc1F
InChIInChI=1S/C12H12BrFN2O/c1-16-12(9(13)7-15-16)11(17)6-8-4-2-3-5-10(8)14/h2-5,7,11,17H,6H2,1H3
InChIKeyIGIWUFZRIBHKJF-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.60
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol (PubChem CID 114643164) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol
PubChem CID114643164
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol
SMILESCn1ncc(Br)c1C(O)Cc1ccccc1F
InChIInChI=1S/C12H12BrFN2O/c1-16-12(9(13)7-15-16)11(17)6-8-4-2-3-5-10(8)14/h2-5,7,11,17H,6H2,1H3
InChIKeyIGIWUFZRIBHKJF-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)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

(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644162
4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67958093
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanol
CID 114643468
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648607
[2-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105206986
1-(4-bromo-1-methylpyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638589
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylethanol
CID 114644295
2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686351

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol (CID 114643164) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol is Cn1ncc(Br)c1C(O)Cc1ccccc1F.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol?
The InChIKey is IGIWUFZRIBHKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-16-12(9(13)7-15-16)11(17)6-8-4-2-3-5-10(8)14/h2-5,7,11,17H,6H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol has a molecular weight of 299.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 114643164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).