N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

C15H18F3N3 — CID 104693840

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCc1ccnn1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3/c1-11(19-9-7-14-8-10-20-21(14)2)12-3-5-13(6-4-12)15(16,17)18/h3-6,8,10-11,19H,7,9H2,1-2H3
InChIKeyJYKPRQUJPVXPGX-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 104693840) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID104693840
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCc1ccnn1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3/c1-11(19-9-7-14-8-10-20-21(14)2)12-3-5-13(6-4-12)15(16,17)18/h3-6,8,10-11,19H,7,9H2,1-2H3
InChIKeyJYKPRQUJPVXPGX-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
1-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104693888
4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
CID 104693858
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
1-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 103004473
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 100678259
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65230871

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 104693840) is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCCc1ccnn1C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JYKPRQUJPVXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-11(19-9-7-14-8-10-20-21(14)2)12-3-5-13(6-4-12)15(16,17)18/h3-6,8,10-11,19H,7,9H2,1-2H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 104693840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).