2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine

C14H18BrN3 — CID 63976182

IUPAC2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
SMILESCCn1nccc1C(Cc1ccccc1Br)NC
InChIInChI=1S/C14H18BrN3/c1-3-18-14(8-9-17-18)13(16-2)10-11-6-4-5-7-12(11)15/h4-9,13,16H,3,10H2,1-2H3
InChIKeyYFQWAPDWEDOQEN-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.17
Rot. Bonds5

About 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine

2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine (PubChem CID 63976182) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
PubChem CID63976182
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
SMILESCCn1nccc1C(Cc1ccccc1Br)NC
InChIInChI=1S/C14H18BrN3/c1-3-18-14(8-9-17-18)13(16-2)10-11-6-4-5-7-12(11)15/h4-9,13,16H,3,10H2,1-2H3
InChIKeyYFQWAPDWEDOQEN-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114650079
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82901988
N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63977027
1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105148244
[1-(2-ethylpyrazol-3-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205035
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
CID 115858222
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine (CID 63976182) is 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine is CCn1nccc1C(Cc1ccccc1Br)NC.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is YFQWAPDWEDOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-18-14(8-9-17-18)13(16-2)10-11-6-4-5-7-12(11)15/h4-9,13,16H,3,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine?
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.17, 5 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-ethylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 63976182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).