2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol

C10H17BrN2O2 — CID 114638544

IUPAC2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)c1c(Br)cnn1CC
InChIInChI=1S/C10H17BrN2O2/c1-4-13-9(8(11)6-12-13)10(3,14)7-15-5-2/h6,14H,4-5,7H2,1-3H3
InChIKeyBRLNGDIZLPNADL-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.91
Rot. Bonds5

About 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol

2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol (PubChem CID 114638544) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol
PubChem CID114638544
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)c1c(Br)cnn1CC
InChIInChI=1S/C10H17BrN2O2/c1-4-13-9(8(11)6-12-13)10(3,14)7-15-5-2/h6,14H,4-5,7H2,1-3H3
InChIKeyBRLNGDIZLPNADL-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638555
2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 114633818
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633949
3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114666527
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
CID 114637265
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446694

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol?
The IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol (CID 114638544) is 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol?
The canonical SMILES for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol is CCOCC(C)(O)c1c(Br)cnn1CC.
What is the InChIKey of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol?
The InChIKey is BRLNGDIZLPNADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-4-13-9(8(11)6-12-13)10(3,14)7-15-5-2/h6,14H,4-5,7H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol?
2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol has a molecular weight of 277.16 g/mol, XLogP of 1.91, 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-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol is sourced from PubChem (CID 114638544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).