1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol

C15H18BrFN2O — CID 105088338

IUPAC1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
SMILESCc1nn(C)c(C)c1CC(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H18BrFN2O/c1-9-14(10(2)19(3)18-9)8-13(20)7-11-6-12(17)4-5-15(11)16/h4-6,13,20H,7-8H2,1-3H3
InChIKeyJKGKPLWZKHUKAH-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol

1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol (PubChem CID 105088338) has the molecular formula C15H18BrFN2O and a molecular weight of 341.22 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
PubChem CID105088338
Molecular FormulaC15H18BrFN2O
Molecular Weight341.22 g/mol
Exact Mass340.06
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
SMILESCc1nn(C)c(C)c1CC(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H18BrFN2O/c1-9-14(10(2)19(3)18-9)8-13(20)7-11-6-12(17)4-5-15(11)16/h4-6,13,20H,7-8H2,1-3H3
InChIKeyJKGKPLWZKHUKAH-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105100011
1-(2-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077158
1-(3-bromo-2,6-difluorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106944585
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 63410719
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
1-(2-bromo-4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78971573
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
2-bromo-4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 28938789
[1-(5-fluoro-2-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105330929
1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105143859

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol (CID 105088338) is 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol is Cc1nn(C)c(C)c1CC(O)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol?
The InChIKey is JKGKPLWZKHUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O/c1-9-14(10(2)19(3)18-9)8-13(20)7-11-6-12(17)4-5-15(11)16/h4-6,13,20H,7-8H2,1-3H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol?
1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol has a molecular weight of 341.22 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 105088338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).