5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline

C14H19BrN4 — CID 61442401

IUPAC5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCNCc1ccc(Br)cc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H19BrN4/c1-16-8-12-4-5-13(15)6-14(12)18(2)9-11-7-17-19(3)10-11/h4-7,10,16H,8-9H2,1-3H3
InChIKeyONZRRHMMSJOXRW-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.54
Rot. Bonds5

About 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline

5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 61442401) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID61442401
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCNCc1ccc(Br)cc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H19BrN4/c1-16-8-12-4-5-13(15)6-14(12)18(2)9-11-7-17-19(3)10-11/h4-7,10,16H,8-9H2,1-3H3
InChIKeyONZRRHMMSJOXRW-UHFFFAOYSA-N
XLogP2.54
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline 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

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442495
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
N,3-dimethyl-5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630432
N-methyl-1-[2-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-3-yl]methanamine
CID 62463336
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81250095
N'-[5-bromo-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700074
4-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114846489
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 81146399
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
4-amino-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenesulfonamide
CID 82898113
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442129

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 61442401) is 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline is CNCc1ccc(Br)cc1N(C)Cc1cnn(C)c1.
What is the InChIKey of 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is ONZRRHMMSJOXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-16-8-12-4-5-13(15)6-14(12)18(2)9-11-7-17-19(3)10-11/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 323.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 61442401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).