2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine

C14H15BrF3N3 — CID 105000387

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCNC(Cc1c(Br)c(C)nn1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H15BrF3N3/c1-7-14(15)12(21(3)20-7)6-11(19-2)13-9(17)4-8(16)5-10(13)18/h4-5,11,19H,6H2,1-3H3
InChIKeyHFAGGHUPXLSRFG-UHFFFAOYSA-N
MW362.19 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 105000387) has the molecular formula C14H15BrF3N3 and a molecular weight of 362.19 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID105000387
Molecular FormulaC14H15BrF3N3
Molecular Weight362.19 g/mol
Exact Mass361.04
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCNC(Cc1c(Br)c(C)nn1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H15BrF3N3/c1-7-14(15)12(21(3)20-7)6-11(19-2)13-9(17)4-8(16)5-10(13)18/h4-5,11,19H,6H2,1-3H3
InChIKeyHFAGGHUPXLSRFG-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160975
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81492694
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 105000198
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161053
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 105000219
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine
CID 104994455
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 104996861
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 104994625
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 114330434

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine (CID 105000387) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine is CNC(Cc1c(Br)c(C)nn1C)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is HFAGGHUPXLSRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3N3/c1-7-14(15)12(21(3)20-7)6-11(19-2)13-9(17)4-8(16)5-10(13)18/h4-5,11,19H,6H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 362.19 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 105000387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).