2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol

C12H13BrN2O — CID 115051707

IUPAC2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cn2cc(Br)cn2)c1
InChIInChI=1S/C12H13BrN2O/c1-9-3-2-4-10(5-9)12(16)8-15-7-11(13)6-14-15/h2-7,12,16H,8H2,1H3
InChIKeyMEZBBXZCWYYVSF-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.69
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol

2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol (PubChem CID 115051707) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol
PubChem CID115051707
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cn2cc(Br)cn2)c1
InChIInChI=1S/C12H13BrN2O/c1-9-3-2-4-10(5-9)12(16)8-15-7-11(13)6-14-15/h2-7,12,16H,8H2,1H3
InChIKeyMEZBBXZCWYYVSF-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol
CID 115052210
(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
CID 97327175
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
(1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
CID 125041793
2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
CID 109411732
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol
CID 115031261
methyl 1-[2-hydroxy-2-(3-methylphenyl)ethyl]triazole-4-carboxylate
CID 56771380
2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol
CID 154781323
1-[3-(4-bromopyrazol-1-yl)propyl]-3-(3-methylphenyl)thiourea
CID 17269871
1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 109411726
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol (CID 115051707) is 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)Cn2cc(Br)cn2)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is MEZBBXZCWYYVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-9-3-2-4-10(5-9)12(16)8-15-7-11(13)6-14-15/h2-7,12,16H,8H2,1H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol?
2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 281.15 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 115051707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).