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

C14H18BrN3 — CID 82876321

IUPAC1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-3-16-14(10-11-8-9-18(2)17-11)12-6-4-5-7-13(12)15/h4-9,14,16H,3,10H2,1-2H3
InChIKeyKCAAZEDXUJHOLP-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.08
Rot. Bonds5

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

1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82876321) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82876321
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-3-16-14(10-11-8-9-18(2)17-11)12-6-4-5-7-13(12)15/h4-9,14,16H,3,10H2,1-2H3
InChIKeyKCAAZEDXUJHOLP-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105208608
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025394
N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82868513
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105025280
N-[1-(3-bromo-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 107953506
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025628
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175123
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105025325
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 82876321) is 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is KCAAZEDXUJHOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-16-14(10-11-8-9-18(2)17-11)12-6-4-5-7-13(12)15/h4-9,14,16H,3,10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82876321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).