2-(5-bromo-1-methylpyrazol-3-yl)ethanol

C6H9BrN2O — CID 155128499

IUPAC2-(5-bromo-1-methylpyrazol-3-yl)ethanol
SMILESCn1nc(CCO)cc1Br
InChIInChI=1S/C6H9BrN2O/c1-9-6(7)4-5(8-9)2-3-10/h4,10H,2-3H2,1H3
InChIKeyCCUHFJWPIRNCRD-UHFFFAOYSA-N
MW205.05 g/mol
LogP0.72
Rot. Bonds2

About 2-(5-bromo-1-methylpyrazol-3-yl)ethanol

2-(5-bromo-1-methylpyrazol-3-yl)ethanol (PubChem CID 155128499) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrazol-3-yl)ethanol
PubChem CID155128499
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name2-(5-bromo-1-methylpyrazol-3-yl)ethanol
SMILESCn1nc(CCO)cc1Br
InChIInChI=1S/C6H9BrN2O/c1-9-6(7)4-5(8-9)2-3-10/h4,10H,2-3H2,1H3
InChIKeyCCUHFJWPIRNCRD-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 21832419
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 22611360
2-(4-Bromo-1,3-dimethylpyrazol-5-yl)ethanol
CID 65861709
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)acetic acid
CID 83852380
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 84672845
2-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanol
CID 75175981
2-(4-bromo-1-ethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 114662420
2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethan-1-ol
CID 83390692
2-(2,5-Dimethylpyrazol-3-yl)-2-fluoroethanol
CID 84021112
2-(4-Bromo-1-methylpyrazol-5-yl)-2-fluoroethanol
CID 84028368
2-(4-Bromo-1,3-dimethylpyrazol-5-yl)-2-fluoroethanol
CID 84030344
3-(3-bromo-1-methyl-1H-pyrazol-5-yl)-3,3-difluoropropan-1-ol
CID 165638211

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-1-methylpyrazol-3-yl)ethanol (CID 155128499) is 2-(5-bromo-1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-1-methylpyrazol-3-yl)ethanol is Cn1nc(CCO)cc1Br.
What is the InChIKey of 2-(5-bromo-1-methylpyrazol-3-yl)ethanol?
The InChIKey is CCUHFJWPIRNCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-9-6(7)4-5(8-9)2-3-10/h4,10H,2-3H2,1H3.
What are the key properties of 2-(5-bromo-1-methylpyrazol-3-yl)ethanol?
2-(5-bromo-1-methylpyrazol-3-yl)ethanol has a molecular weight of 205.05 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 155128499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).