2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine

C13H15F3N4 — CID 105115043

IUPAC2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCCn1cc(CC(N)c2ccc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C13H15F3N4/c1-2-20-8-9(6-19-20)5-11(17)12-4-3-10(7-18-12)13(14,15)16/h3-4,6-8,11H,2,5,17H2,1H3
InChIKeyNRKUPPBCEHMKEV-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.56
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine

2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 105115043) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID105115043
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCCn1cc(CC(N)c2ccc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C13H15F3N4/c1-2-20-8-9(6-19-20)5-11(17)12-4-3-10(7-18-12)13(14,15)16/h3-4,6-8,11H,2,5,17H2,1H3
InChIKeyNRKUPPBCEHMKEV-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989978
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
CID 62126098
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
CID 105176912
2-(2,6-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105174687
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
CID 105125097
2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105169295
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanamine
CID 62716130
(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148490
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 105115043) is 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is CCn1cc(CC(N)c2ccc(C(F)(F)F)cn2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is NRKUPPBCEHMKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-20-8-9(6-19-20)5-11(17)12-4-3-10(7-18-12)13(14,15)16/h3-4,6-8,11H,2,5,17H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 284.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 105115043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).