2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol

C11H11BrN2O — CID 117420978

IUPAC2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol
SMILESOCCc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C11H11BrN2O/c12-10-7-13-14(8-10)11-3-1-9(2-4-11)5-6-15/h1-4,7-8,15H,5-6H2
InChIKeyCYNYENQIFKTKDX-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.17
Rot. Bonds3

About 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol

2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol (PubChem CID 117420978) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol
PubChem CID117420978
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol
SMILESOCCc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C11H11BrN2O/c12-10-7-13-14(8-10)11-3-1-9(2-4-11)5-6-15/h1-4,7-8,15H,5-6H2
InChIKeyCYNYENQIFKTKDX-UHFFFAOYSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]ethanamine
CID 61036315
4-(4-bromopyrazol-1-yl)benzenecarbothioamide
CID 61034766
2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol
CID 50949483
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 55148000
(E)-3-[4-(4-bromopyrazol-1-yl)phenyl]prop-2-en-1-amine
CID 117445633
2-amino-2-[4-(4-bromopyrazol-1-yl)phenyl]acetic acid
CID 117476951
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol
CID 62122562
2-amino-5-(4-bromopyrazol-1-yl)phenol
CID 178025198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol (CID 117420978) is 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol is OCCc1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol?
The InChIKey is CYNYENQIFKTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-7-13-14(8-10)11-3-1-9(2-4-11)5-6-15/h1-4,7-8,15H,5-6H2.
What are the key properties of 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol?
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol has a molecular weight of 267.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 117420978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).