1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol

C15H18BrFN2O2 — CID 114638172

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1cccc(F)c1C(C)(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H18BrFN2O2/c1-9(2)19-14(10(16)8-18-19)15(3,20)13-11(17)6-5-7-12(13)21-4/h5-9,20H,1-4H3
InChIKeyXZRWFFQKVLLHCZ-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol (PubChem CID 114638172) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
PubChem CID114638172
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1cccc(F)c1C(C)(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H18BrFN2O2/c1-9(2)19-14(10(16)8-18-19)15(3,20)13-11(17)6-5-7-12(13)21-4/h5-9,20H,1-4H3
InChIKeyXZRWFFQKVLLHCZ-UHFFFAOYSA-N
XLogP3.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638169
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 114641680
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3,5-difluorophenyl)ethanol
CID 114637010
1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 114685435
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633338
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol
CID 114633409
4-[1-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]phenol
CID 114637997
1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633450
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
CID 114633735

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol (CID 114638172) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol is COc1cccc(F)c1C(C)(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The InChIKey is XZRWFFQKVLLHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c1-9(2)19-14(10(16)8-18-19)15(3,20)13-11(17)6-5-7-12(13)21-4/h5-9,20H,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol has a molecular weight of 357.22 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol is sourced from PubChem (CID 114638172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).