2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine

C11H12BrN3O — CID 115051835

IUPAC2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
SMILESNCCn1cc(Oc2ccccc2Br)cn1
InChIInChI=1S/C11H12BrN3O/c12-10-3-1-2-4-11(10)16-9-7-14-15(8-9)6-5-13/h1-4,7-8H,5-6,13H2
InChIKeyPZEXFTGOVIOOFN-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine

2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine (PubChem CID 115051835) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
PubChem CID115051835
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
SMILESNCCn1cc(Oc2ccccc2Br)cn1
InChIInChI=1S/C11H12BrN3O/c12-10-3-1-2-4-11(10)16-9-7-14-15(8-9)6-5-13/h1-4,7-8H,5-6,13H2
InChIKeyPZEXFTGOVIOOFN-UHFFFAOYSA-N
XLogP2.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 117124831
2-[4-(furan-2-yloxy)pyrazol-1-yl]ethanamine
CID 117234269
4-(2-bromophenoxy)-1-tert-butylpyrazole
CID 117229324
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine
CID 117234274
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
2-[4-(4-nitrophenoxy)pyrazol-1-yl]ethanamine;hydrochloride
CID 166174646
1-benzyl-4-(2-fluorophenoxy)pyrazole
CID 117234109
1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole
CID 169336743
1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801704
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine (CID 115051835) is 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine is NCCn1cc(Oc2ccccc2Br)cn1.
What is the InChIKey of 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine?
The InChIKey is PZEXFTGOVIOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-10-3-1-2-4-11(10)16-9-7-14-15(8-9)6-5-13/h1-4,7-8H,5-6,13H2.
What are the key properties of 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine?
2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine has a molecular weight of 282.14 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 115051835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).