2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol

C7H11BrN2O — CID 116817962

IUPAC2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(Br)c1CCO
InChIInChI=1S/C7H11BrN2O/c1-5-6(3-4-11)7(8)10(2)9-5/h11H,3-4H2,1-2H3
InChIKeyNDPYFILQZSMCKF-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.03
Rot. Bonds2

About 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol

2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 116817962) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID116817962
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(Br)c1CCO
InChIInChI=1S/C7H11BrN2O/c1-5-6(3-4-11)7(8)10(2)9-5/h11H,3-4H2,1-2H3
InChIKeyNDPYFILQZSMCKF-UHFFFAOYSA-N
XLogP1.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817986
2-(5-bromo-1-methylpyrazol-4-yl)ethanol
CID 84672842
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
2-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105438944
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797
2-(3-bromo-1-methylpyrazol-4-yl)ethanol
CID 84672843
ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate
CID 151322614
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
CID 83695194
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
1-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105107419

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol (CID 116817962) is 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(Br)c1CCO.
What is the InChIKey of 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is NDPYFILQZSMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-5-6(3-4-11)7(8)10(2)9-5/h11H,3-4H2,1-2H3.
What are the key properties of 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol?
2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 219.08 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 116817962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).