1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C15H18F3N3 — CID 105141485

IUPAC1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-9-13(10(2)21(3)20-9)8-14(19)11-5-4-6-12(7-11)15(16,17)18/h4-7,14H,8,19H2,1-3H3
InChIKeyRVDHMXDBNNJSAA-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.30
Rot. Bonds3

About 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105141485) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105141485
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-9-13(10(2)21(3)20-9)8-14(19)11-5-4-6-12(7-11)15(16,17)18/h4-7,14H,8,19H2,1-3H3
InChIKeyRVDHMXDBNNJSAA-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112727320
1-(3-fluoro-5-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105170047
1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105172407
1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105090783
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 102803479
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105185570
2-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64620794
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105141485) is 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1CC(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is RVDHMXDBNNJSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-9-13(10(2)21(3)20-9)8-14(19)11-5-4-6-12(7-11)15(16,17)18/h4-7,14H,8,19H2,1-3H3.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105141485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).