1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine

C15H20BrN3 — CID 43751951

IUPAC1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)c2ccccc2Br)cnn1C
InChIInChI=1S/C15H20BrN3/c1-10(13-7-5-6-8-15(13)16)18-11(2)14-9-17-19(4)12(14)3/h5-11,18H,1-4H3
InChIKeyLOYGDEWXVCVYKX-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine

1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 43751951) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
PubChem CID43751951
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)c2ccccc2Br)cnn1C
InChIInChI=1S/C15H20BrN3/c1-10(13-7-5-6-8-15(13)16)18-11(2)14-9-17-19(4)12(14)3/h5-11,18H,1-4H3
InChIKeyLOYGDEWXVCVYKX-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757140
(1S)-1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757965
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43751923
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62090519
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43751841

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine (CID 43751951) is 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine is Cc1c(C(C)NC(C)c2ccccc2Br)cnn1C.
What is the InChIKey of 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is LOYGDEWXVCVYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(13-7-5-6-8-15(13)16)18-11(2)14-9-17-19(4)12(14)3/h5-11,18H,1-4H3.
What are the key properties of 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43751951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).