N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine

C12H13F3N4 — CID 83128144

IUPACN-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(-n2cc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C12H13F3N4/c1-8(16-2)11-4-3-10(6-17-11)19-7-9(5-18-19)12(13,14)15/h3-8,16H,1-2H3
InChIKeyHQHWCXWHVMJKPJ-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.57
Rot. Bonds3

About N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine

N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine (PubChem CID 83128144) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine
PubChem CID83128144
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(-n2cc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C12H13F3N4/c1-8(16-2)11-4-3-10(6-17-11)19-7-9(5-18-19)12(13,14)15/h3-8,16H,1-2H3
InChIKeyHQHWCXWHVMJKPJ-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83109942
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one
CID 112583755
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 117167604
5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide
CID 113321273
1-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83127743
1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122210
(1R)-N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanamine
CID 163383034
4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione
CID 83127640
N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]ethanamine
CID 83110817
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84728420

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine (CID 83128144) is N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine is CNC(C)c1ccc(-n2cc(C(F)(F)F)cn2)cn1.
What is the InChIKey of N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine?
The InChIKey is HQHWCXWHVMJKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-8(16-2)11-4-3-10(6-17-11)19-7-9(5-18-19)12(13,14)15/h3-8,16H,1-2H3.
What are the key properties of N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine?
N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine has a molecular weight of 270.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 83128144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).