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

C14H23BrN2O2 — CID 115816212

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)C2CCOC2C)c1Br
InChIInChI=1S/C14H23BrN2O2/c1-4-11-14(15)12(17(5-2)16-11)8-13(18)10-6-7-19-9(10)3/h9-10,13,18H,4-8H2,1-3H3
InChIKeyRVRLBITWKUQZQZ-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.56
Rot. Bonds5

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

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol (PubChem CID 115816212) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol
PubChem CID115816212
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)C2CCOC2C)c1Br
InChIInChI=1S/C14H23BrN2O2/c1-4-11-14(15)12(17(5-2)16-11)8-13(18)10-6-7-19-9(10)3/h9-10,13,18H,4-8H2,1-3H3
InChIKeyRVRLBITWKUQZQZ-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
CID 103345125
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
CID 103986394
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712576
N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104998263
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105002348
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978492
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105109407
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
CID 116502490

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol (CID 115816212) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol is CCc1nn(CC)c(CC(O)C2CCOC2C)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol?
The InChIKey is RVRLBITWKUQZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-4-11-14(15)12(17(5-2)16-11)8-13(18)10-6-7-19-9(10)3/h9-10,13,18H,4-8H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol has a molecular weight of 331.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol is sourced from PubChem (CID 115816212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).