2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C16H19F4N3 — CID 122150139

IUPAC2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1ccc(F)cc1CNC(c1c(C)nn(C)c1C)C(F)(F)F
InChIInChI=1S/C16H19F4N3/c1-9-5-6-13(17)7-12(9)8-21-15(16(18,19)20)14-10(2)22-23(4)11(14)3/h5-7,15,21H,8H2,1-4H3
InChIKeyDGNYGOPPJJOZJX-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.88
Rot. Bonds4

About 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 122150139) has the molecular formula C16H19F4N3 and a molecular weight of 329.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID122150139
Molecular FormulaC16H19F4N3
Molecular Weight329.34 g/mol
Exact Mass329.15
IUPAC Name2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1ccc(F)cc1CNC(c1c(C)nn(C)c1C)C(F)(F)F
InChIInChI=1S/C16H19F4N3/c1-9-5-6-13(17)7-12(9)8-21-15(16(18,19)20)14-10(2)22-23(4)11(14)3/h5-7,15,21H,8H2,1-4H3
InChIKeyDGNYGOPPJJOZJX-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-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

N-[(2,5-difluorophenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63379067
(1R)-N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 164632197
2-(5-fluoro-2-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105376837
2-[2-oxo-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]ethyl]benzoic acid
CID 120551930
1-(4-fluoro-3-methylphenyl)-3-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97068175
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105295191
N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 62604425
N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide
CID 71914311
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377494

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 122150139) is 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1ccc(F)cc1CNC(c1c(C)nn(C)c1C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is DGNYGOPPJJOZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N3/c1-9-5-6-13(17)7-12(9)8-21-15(16(18,19)20)14-10(2)22-23(4)11(14)3/h5-7,15,21H,8H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 329.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 122150139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).