1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine

C12H14BrN3O — CID 117125328

IUPAC1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine
SMILESCC(N)Cn1cc(Oc2cccc(Br)c2)cn1
InChIInChI=1S/C12H14BrN3O/c1-9(14)7-16-8-12(6-15-16)17-11-4-2-3-10(13)5-11/h2-6,8-9H,7,14H2,1H3
InChIKeyYAUQZTPESVFHHG-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.79
Rot. Bonds4

About 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine

1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine (PubChem CID 117125328) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine
PubChem CID117125328
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine
SMILESCC(N)Cn1cc(Oc2cccc(Br)c2)cn1
InChIInChI=1S/C12H14BrN3O/c1-9(14)7-16-8-12(6-15-16)17-11-4-2-3-10(13)5-11/h2-6,8-9H,7,14H2,1H3
InChIKeyYAUQZTPESVFHHG-UHFFFAOYSA-N
XLogP2.79
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenoxy)-1-methylpyrazole
CID 115047051
3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol
CID 117124853
1-[4-(2-chlorophenoxy)pyrazol-1-yl]propan-2-amine
CID 117125305
3-[1-(aminomethyl)pyrazol-4-yl]oxyphenol
CID 117125233
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740
1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine
CID 114057557
2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole
CID 117260431
3-[4-(3-chlorophenoxy)pyrazol-1-yl]propan-1-amine
CID 115055461
3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine
CID 116801056
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332
1-(4-phenoxypyrazol-1-yl)ethanamine
CID 117125159

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine?
The IUPAC name of 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine (CID 117125328) is 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine?
The canonical SMILES for 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine is CC(N)Cn1cc(Oc2cccc(Br)c2)cn1.
What is the InChIKey of 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine?
The InChIKey is YAUQZTPESVFHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-9(14)7-16-8-12(6-15-16)17-11-4-2-3-10(13)5-11/h2-6,8-9H,7,14H2,1H3.
What are the key properties of 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine?
1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine has a molecular weight of 296.17 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine is sourced from PubChem (CID 117125328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).