2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol

C14H16BrFN2O — CID 115814385

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)Cc2c(Br)c(C)nn2C)c1
InChIInChI=1S/C14H16BrFN2O/c1-8-4-5-11(16)10(6-8)13(19)7-12-14(15)9(2)17-18(12)3/h4-6,13,19H,7H2,1-3H3
InChIKeySGZYWJWKUQYGPQ-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.21
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol (PubChem CID 115814385) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
PubChem CID115814385
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)Cc2c(Br)c(C)nn2C)c1
InChIInChI=1S/C14H16BrFN2O/c1-8-4-5-11(16)10(6-8)13(19)7-12-14(15)9(2)17-18(12)3/h4-6,13,19H,7H2,1-3H3
InChIKeySGZYWJWKUQYGPQ-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115812795
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
CID 115814442
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol
CID 107947600
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114852945
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115812822
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115814606
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105000432
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylethanol
CID 62791168
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol (CID 115814385) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol is Cc1ccc(F)c(C(O)Cc2c(Br)c(C)nn2C)c1.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The InChIKey is SGZYWJWKUQYGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-8-4-5-11(16)10(6-8)13(19)7-12-14(15)9(2)17-18(12)3/h4-6,13,19H,7H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol has a molecular weight of 327.20 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 115814385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).