3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine

C11H7F3N4 — CID 171572625

IUPAC3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine
SMILESNc1ccncc1C#Cc1cnn(C(F)(F)F)c1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)18-7-8(5-17-18)1-2-9-6-16-4-3-10(9)15/h3-7H,(H2,15,16)
InChIKeyOSXRZRAKSPDEEX-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.74
Rot. Bonds

About 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine

3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine (PubChem CID 171572625) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine
PubChem CID171572625
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine
SMILESNc1ccncc1C#Cc1cnn(C(F)(F)F)c1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)18-7-8(5-17-18)1-2-9-6-16-4-3-10(9)15/h3-7H,(H2,15,16)
InChIKeyOSXRZRAKSPDEEX-UHFFFAOYSA-N
XLogP1.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-trimethylsilylethynyl)pyridin-4-amine
CID 23521597
3-[(R)-trifluoromethylsulfinyl]pyridin-4-amine
CID 124747746
1-[1-[2-chloro-5-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]-4-pyridinyl]piperidin-4-yl]ethanone
CID 167426858
N-chloro-3-[2-(1-methylpyrazol-4-yl)ethynyl]-N-propan-2-ylpyridin-4-amine
CID 171614188
1-[2-chloro-5-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]-4-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-ol
CID 167426982
4-aminopyridine-3-thiol
CID 14062661
1-methyl-2-[2-(1-tritylpyrazol-4-yl)ethynyl]pyridin-1-ium iodide
CID 56965329
3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
CID 177485987
N-chloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethynyl]pyridin-4-amine
CID 171614209
3-(2-pyridin-4-ylethynyl)-5-(trifluoromethyl)aniline
CID 142477928
pyrazolo[1,5-c]pyrimidin-3-amine
CID 69463178
3-fluoro-4-[[3-(2-phenylethynyl)-4-pyridinyl]oxy]aniline
CID 59823022

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine?
The IUPAC name of 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine (CID 171572625) is 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine?
The canonical SMILES for 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine is Nc1ccncc1C#Cc1cnn(C(F)(F)F)c1.
What is the InChIKey of 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine?
The InChIKey is OSXRZRAKSPDEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c12-11(13,14)18-7-8(5-17-18)1-2-9-6-16-4-3-10(9)15/h3-7H,(H2,15,16).
What are the key properties of 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine?
3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine has a molecular weight of 252.20 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine is sourced from PubChem (CID 171572625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).