2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine

C12H14BrN3 — CID 63962245

IUPAC2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1C(N)Cc1ccccc1Br
InChIInChI=1S/C12H14BrN3/c1-16-12(6-7-15-16)11(14)8-9-4-2-3-5-10(9)13/h2-7,11H,8,14H2,1H3
InChIKeyHHFNWROPFWWERJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine

2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 63962245) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID63962245
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1C(N)Cc1ccccc1Br
InChIInChI=1S/C12H14BrN3/c1-16-12(6-7-15-16)11(14)8-9-4-2-3-5-10(9)13/h2-7,11H,8,14H2,1H3
InChIKeyHHFNWROPFWWERJ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105110600
2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105188357
2-(4-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963722
2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960986
2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330322
2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62829496
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanamine
CID 114650069
2-(2-bromophenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105087456
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
CID 63976182
1-(2-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148769
(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 114886847
2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 66144643

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 63962245) is 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine is Cn1nccc1C(N)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is HHFNWROPFWWERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-16-12(6-7-15-16)11(14)8-9-4-2-3-5-10(9)13/h2-7,11H,8,14H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63962245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).