2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol

C11H11BrN2O — CID 117420980

IUPAC2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol
SMILESOCCc1ccc(-n2cccn2)c(Br)c1
InChIInChI=1S/C11H11BrN2O/c12-10-8-9(4-7-15)2-3-11(10)14-6-1-5-13-14/h1-3,5-6,8,15H,4,7H2
InChIKeyNZVINNDBLFNXBL-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.17
Rot. Bonds3

About 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol

2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol (PubChem CID 117420980) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol
PubChem CID117420980
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol
SMILESOCCc1ccc(-n2cccn2)c(Br)c1
InChIInChI=1S/C11H11BrN2O/c12-10-8-9(4-7-15)2-3-11(10)14-6-1-5-13-14/h1-3,5-6,8,15H,4,7H2
InChIKeyNZVINNDBLFNXBL-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

3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol
CID 117451056
3-(3-bromo-4-pyrazol-1-ylphenyl)propanal
CID 117447367
2-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 117482011
2-pyrazolo[1,5-a]pyridin-5-ylethanol
CID 59476221
(5-pyrazol-1-ylnaphthalen-2-yl)methanol
CID 171090659
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317
1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol
CID 117345834
(4-chloro-2-pyrazol-1-ylphenyl)methanol
CID 114845909
1-[5-bromo-2-(chloromethyl)phenyl]pyrazole
CID 43365163

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol (CID 117420980) is 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol is OCCc1ccc(-n2cccn2)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol?
The InChIKey is NZVINNDBLFNXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-8-9(4-7-15)2-3-11(10)14-6-1-5-13-14/h1-3,5-6,8,15H,4,7H2.
What are the key properties of 2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol?
2-(3-bromo-4-pyrazol-1-ylphenyl)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-(3-bromo-4-pyrazol-1-ylphenyl)ethanol is sourced from PubChem (CID 117420980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).