1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C13H13BrF3N3 — CID 105054025

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1c(Br)cnn1C
InChIInChI=1S/C13H13BrF3N3/c1-18-11(12-10(14)7-19-20(12)2)8-5-3-4-6-9(8)13(15,16)17/h3-7,11,18H,1-2H3
InChIKeyAIJJXDKAEVNPEW-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.51
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 105054025) has the molecular formula C13H13BrF3N3 and a molecular weight of 348.17 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID105054025
Molecular FormulaC13H13BrF3N3
Molecular Weight348.17 g/mol
Exact Mass347.02
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1c(Br)cnn1C
InChIInChI=1S/C13H13BrF3N3/c1-18-11(12-10(14)7-19-20(12)2)8-5-3-4-6-9(8)13(15,16)17/h3-7,11,18H,1-2H3
InChIKeyAIJJXDKAEVNPEW-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine 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-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651287
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 130899126
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105342179
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105342188
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine
CID 114659165

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 105054025) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccccc1C(F)(F)F)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AIJJXDKAEVNPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3/c1-18-11(12-10(14)7-19-20(12)2)8-5-3-4-6-9(8)13(15,16)17/h3-7,11,18H,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 348.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105054025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).