1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine

C15H20BrN3 — CID 105025394

IUPAC1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccc(C)cc1Br
InChIInChI=1S/C15H20BrN3/c1-4-17-15(10-12-7-8-19(3)18-12)13-6-5-11(2)9-14(13)16/h5-9,15,17H,4,10H2,1-3H3
InChIKeyQJBDIFVKIAETSG-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.38
Rot. Bonds5

About 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025394) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025394
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccc(C)cc1Br
InChIInChI=1S/C15H20BrN3/c1-4-17-15(10-12-7-8-19(3)18-12)13-6-5-11(2)9-14(13)16/h5-9,15,17H,4,10H2,1-3H3
InChIKeyQJBDIFVKIAETSG-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329498
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025628
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065389
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105025325
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002645
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025701
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025394) is 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is QJBDIFVKIAETSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-17-15(10-12-7-8-19(3)18-12)13-6-5-11(2)9-14(13)16/h5-9,15,17H,4,10H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).