N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

C14H16F3N3 — CID 103905124

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NC(C)c1ccccc1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C14H16F3N3/c1-9(11-7-18-19-8-11)20-10(2)12-5-3-4-6-13(12)14(15,16)17/h3-10,20H,1-2H3,(H,18,19)
InChIKeyUYNYFCMAHFDNDQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.84
Rot. Bonds4

About N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 103905124) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID103905124
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NC(C)c1ccccc1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C14H16F3N3/c1-9(11-7-18-19-8-11)20-10(2)12-5-3-4-6-13(12)14(15,16)17/h3-10,20H,1-2H3,(H,18,19)
InChIKeyUYNYFCMAHFDNDQ-UHFFFAOYSA-N
XLogP3.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
2,3-dimethyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]aniline
CID 91155910
4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 91293685
4-methylsulfonyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]aniline
CID 90805362
5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 91084378
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115726933
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
4-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106217097

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 103905124) is N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is CC(NC(C)c1ccccc1C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UYNYFCMAHFDNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-9(11-7-18-19-8-11)20-10(2)12-5-3-4-6-13(12)14(15,16)17/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 103905124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).