1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol

C13H15BrN2O — CID 82970956

IUPAC1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1cc(C)n(-c2ccc(Br)cc2C(C)O)n1
InChIInChI=1S/C13H15BrN2O/c1-8-6-9(2)16(15-8)13-5-4-11(14)7-12(13)10(3)17/h4-7,10,17H,1-3H3
InChIKeyWPFCHRDXIAJDHP-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.30
Rot. Bonds2

About 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol

1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol (PubChem CID 82970956) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
PubChem CID82970956
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1cc(C)n(-c2ccc(Br)cc2C(C)O)n1
InChIInChI=1S/C13H15BrN2O/c1-8-6-9(2)16(15-8)13-5-4-11(14)7-12(13)10(3)17/h4-7,10,17H,1-3H3
InChIKeyWPFCHRDXIAJDHP-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 55184508
1-[5-bromo-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanol
CID 82970667
5-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 114892139
1-(5-bromo-2-methylphenyl)-3,5-dimethylpyrazole
CID 130121149
4-bromo-2-(3,5-dimethylpyrazol-1-yl)aniline
CID 12746688
N-[1-[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 82967842
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide
CID 114907640
N-[[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine
CID 43282149
1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole
CID 82091650
2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 83823935
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
CID 114904706

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol (CID 82970956) is 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol is Cc1cc(C)n(-c2ccc(Br)cc2C(C)O)n1.
What is the InChIKey of 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is WPFCHRDXIAJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-6-9(2)16(15-8)13-5-4-11(14)7-12(13)10(3)17/h4-7,10,17H,1-3H3.
What are the key properties of 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 295.18 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 82970956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).