2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine

C12H14BrN3 — CID 82093865

IUPAC2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine
SMILESCc1cc(CCN)nn1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-9-7-11(5-6-14)15-16(9)12-4-2-3-10(13)8-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyFJIWPAJIZSSVLQ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.44
Rot. Bonds3

About 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine

2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine (PubChem CID 82093865) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine
PubChem CID82093865
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine
SMILESCc1cc(CCN)nn1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-9-7-11(5-6-14)15-16(9)12-4-2-3-10(13)8-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyFJIWPAJIZSSVLQ-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489374
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818525
[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82093871
[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
CID 82091921
1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82422054
[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 66440713
[1-(3-bromophenyl)-5-butyltriazol-4-yl]methanamine
CID 94937588
3-(chloromethyl)-5-methyl-1-phenylpyrazole
CID 82126485
[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
CID 115052372
4-(3-bromophenyl)-1,2,4-triazole
CID 18001275
1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine
CID 176757799

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine (CID 82093865) is 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine is Cc1cc(CCN)nn1-c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine?
The InChIKey is FJIWPAJIZSSVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9-7-11(5-6-14)15-16(9)12-4-2-3-10(13)8-12/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine?
2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82093865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).