4-(2-bromophenoxy)-1-tert-butylpyrazole

C13H15BrN2O — CID 117229324

IUPAC4-(2-bromophenoxy)-1-tert-butylpyrazole
SMILESCC(C)(C)n1cc(Oc2ccccc2Br)cn1
InChIInChI=1S/C13H15BrN2O/c1-13(2,3)16-9-10(8-15-16)17-12-7-5-4-6-11(12)14/h4-9H,1-3H3
InChIKeyUYRQPTWLEWKOQU-UHFFFAOYSA-N
MW295.18 g/mol
LogP4.19
Rot. Bonds2

About 4-(2-bromophenoxy)-1-tert-butylpyrazole

4-(2-bromophenoxy)-1-tert-butylpyrazole (PubChem CID 117229324) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-1-tert-butylpyrazole.

Molecular Properties

Compound Name4-(2-bromophenoxy)-1-tert-butylpyrazole
PubChem CID117229324
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-(2-bromophenoxy)-1-tert-butylpyrazole
SMILESCC(C)(C)n1cc(Oc2ccccc2Br)cn1
InChIInChI=1S/C13H15BrN2O/c1-13(2,3)16-9-10(8-15-16)17-12-7-5-4-6-11(12)14/h4-9H,1-3H3
InChIKeyUYRQPTWLEWKOQU-UHFFFAOYSA-N
XLogP4.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-(4-fluorophenoxy)pyrazole
CID 117229577
2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
CID 115051835
3-(1-tert-butylpyrazol-4-yl)oxyphenol
CID 117229457
1-tert-butyl-4-(3-chlorophenoxy)pyrazole
CID 117229451
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
1-tert-butyl-4-ethoxypyrazole;ethane
CID 162757233
4-(2-bromophenoxy)-1,2-thiazole
CID 117233629
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730
5-(2-bromophenoxy)-N-ethylpyridin-3-amine
CID 104536174
1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530
(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate
CID 13206777
2,6-bis(2-bromophenoxy)pyrazine
CID 177456586

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-1-tert-butylpyrazole?
The IUPAC name of 4-(2-bromophenoxy)-1-tert-butylpyrazole (CID 117229324) is 4-(2-bromophenoxy)-1-tert-butylpyrazole.
What is the SMILES notation for 4-(2-bromophenoxy)-1-tert-butylpyrazole?
The canonical SMILES for 4-(2-bromophenoxy)-1-tert-butylpyrazole is CC(C)(C)n1cc(Oc2ccccc2Br)cn1.
What is the InChIKey of 4-(2-bromophenoxy)-1-tert-butylpyrazole?
The InChIKey is UYRQPTWLEWKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-13(2,3)16-9-10(8-15-16)17-12-7-5-4-6-11(12)14/h4-9H,1-3H3.
What are the key properties of 4-(2-bromophenoxy)-1-tert-butylpyrazole?
4-(2-bromophenoxy)-1-tert-butylpyrazole has a molecular weight of 295.18 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-1-tert-butylpyrazole is sourced from PubChem (CID 117229324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).