1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol

C13H12BrF3N2O — CID 114644162

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESCn1ncc(Br)c1C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12BrF3N2O/c1-19-12(10(14)7-18-19)11(20)6-8-3-2-4-9(5-8)13(15,16)17/h2-5,7,11,20H,6H2,1H3
InChIKeyMMEBNTJOFARAAP-UHFFFAOYSA-N
MW349.15 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol

1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 114644162) has the molecular formula C13H12BrF3N2O and a molecular weight of 349.15 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID114644162
Molecular FormulaC13H12BrF3N2O
Molecular Weight349.15 g/mol
Exact Mass348.01
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESCn1ncc(Br)c1C(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12BrF3N2O/c1-19-12(10(14)7-18-19)11(20)6-8-3-2-4-9(5-8)13(15,16)17/h2-5,7,11,20H,6H2,1H3
InChIKeyMMEBNTJOFARAAP-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644158
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 114643064
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
3-[(2S)-1-amino-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-4-(4-bromo-1-methylpyrazol-5-yl)-5-chlorothiophene-2-carboxamide
CID 91553755
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 62730727
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol (CID 114644162) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol is Cn1ncc(Br)c1C(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MMEBNTJOFARAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2O/c1-19-12(10(14)7-18-19)11(20)6-8-3-2-4-9(5-8)13(15,16)17/h2-5,7,11,20H,6H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol?
1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 349.15 g/mol, XLogP of 3.48, 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-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 114644162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).