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

C15H18F3N3 — CID 65195617

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)c1cnn(C)c1
InChIInChI=1S/C15H18F3N3/c1-3-19-14(12-9-20-21(2)10-12)8-11-5-4-6-13(7-11)15(16,17)18/h4-7,9-10,14,19H,3,8H2,1-2H3
InChIKeyKHPKYFWBXZKHOZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.33
Rot. Bonds5

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

N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65195617) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID65195617
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)c1cnn(C)c1
InChIInChI=1S/C15H18F3N3/c1-3-19-14(12-9-20-21(2)10-12)8-11-5-4-6-13(7-11)15(16,17)18/h4-7,9-10,14,19H,3,8H2,1-2H3
InChIKeyKHPKYFWBXZKHOZ-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-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62602438
N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 62731966
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65360501
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65200344
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102651729
N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
CID 65195286
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262
N-[2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62902240
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 65195617) is N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CCNC(Cc1cccc(C(F)(F)F)c1)c1cnn(C)c1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KHPKYFWBXZKHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-19-14(12-9-20-21(2)10-12)8-11-5-4-6-13(7-11)15(16,17)18/h4-7,9-10,14,19H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(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-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65195617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).