2-(4-bromo-1H-pyrazol-5-yl)ethanol

C5H7BrN2O — CID 84662969

IUPAC2-(4-bromo-1H-pyrazol-5-yl)ethanol
SMILESOCCc1[nH]ncc1Br
InChIInChI=1S/C5H7BrN2O/c6-4-3-7-8-5(4)1-2-9/h3,9H,1-2H2,(H,7,8)
InChIKeyFJVDGECFZDFLNL-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.71
Rot. Bonds2

About 2-(4-bromo-1H-pyrazol-5-yl)ethanol

2-(4-bromo-1H-pyrazol-5-yl)ethanol (PubChem CID 84662969) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 2-(4-bromo-1H-pyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1H-pyrazol-5-yl)ethanol
PubChem CID84662969
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name2-(4-bromo-1H-pyrazol-5-yl)ethanol
SMILESOCCc1[nH]ncc1Br
InChIInChI=1S/C5H7BrN2O/c6-4-3-7-8-5(4)1-2-9/h3,9H,1-2H2,(H,7,8)
InChIKeyFJVDGECFZDFLNL-UHFFFAOYSA-N
XLogP0.71
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-1H-pyrazol-5-yl)propan-1-amine
CID 83881742
2-[5-(hydroxymethyl)-1H-pyrazol-4-yl]ethanol
CID 151539359
4-bromo-5-(ethoxymethyl)-1H-pyrazole;ethane
CID 176927489
1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol
CID 167788383
5-(hydroxymethyl)-1H-pyrazol-4-ol
CID 20557721
4-bromo-5-methyl-1H-pyrazole;ethane
CID 168964269
4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole
CID 155213840
4-bromo-5-nitro-1H-pyrazole
CID 606370
N-(4-bromo-1H-pyrazol-5-yl)ethanesulfonamide
CID 4584368
4-bromo-5-(oxan-2-yloxymethyl)-1H-pyrazole
CID 139312696
2-(2H-pyrazolo[4,3-c]pyridin-3-yl)ethanol
CID 84651545
2-[[5-(4-bromo-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 118480096

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-pyrazol-5-yl)ethanol?
The IUPAC name of 2-(4-bromo-1H-pyrazol-5-yl)ethanol (CID 84662969) is 2-(4-bromo-1H-pyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1H-pyrazol-5-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1H-pyrazol-5-yl)ethanol is OCCc1[nH]ncc1Br.
What is the InChIKey of 2-(4-bromo-1H-pyrazol-5-yl)ethanol?
The InChIKey is FJVDGECFZDFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c6-4-3-7-8-5(4)1-2-9/h3,9H,1-2H2,(H,7,8).
What are the key properties of 2-(4-bromo-1H-pyrazol-5-yl)ethanol?
2-(4-bromo-1H-pyrazol-5-yl)ethanol has a molecular weight of 191.03 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-pyrazol-5-yl)ethanol is sourced from PubChem (CID 84662969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).