3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol

C10H17BrN2O2 — CID 114637265

IUPAC3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCCn1ncc(Br)c1OCC(C)(C)CO
InChIInChI=1S/C10H17BrN2O2/c1-4-13-9(8(11)5-12-13)15-7-10(2,3)6-14/h5,14H,4,6-7H2,1-3H3
InChIKeyDRLBPBDKQZUFSJ-UHFFFAOYSA-N
MW277.16 g/mol
LogP2.06
Rot. Bonds5

About 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol

3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol (PubChem CID 114637265) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
PubChem CID114637265
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCCn1ncc(Br)c1OCC(C)(C)CO
InChIInChI=1S/C10H17BrN2O2/c1-4-13-9(8(11)5-12-13)15-7-10(2,3)6-14/h5,14H,4,6-7H2,1-3H3
InChIKeyDRLBPBDKQZUFSJ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole
CID 151256853
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 114633818
3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
CID 114637264
2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638544
4-bromo-1,5-diethylpyrazole
CID 66959053
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine
CID 170946236
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023528
1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446694
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol (CID 114637265) is 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol is CCn1ncc(Br)c1OCC(C)(C)CO.
What is the InChIKey of 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol?
The InChIKey is DRLBPBDKQZUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-4-13-9(8(11)5-12-13)15-7-10(2,3)6-14/h5,14H,4,6-7H2,1-3H3.
What are the key properties of 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol?
3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol has a molecular weight of 277.16 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 114637265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).