N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C12H13F3N4O — CID 60973025

IUPACN-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(Nc1ccc(OCC(F)(F)F)nc1)c1ccn[nH]1
InChIInChI=1S/C12H13F3N4O/c1-8(10-4-5-17-19-10)18-9-2-3-11(16-6-9)20-7-12(13,14)15/h2-6,8,18H,7H2,1H3,(H,17,19)
InChIKeyJMVJTMWLGGLUPN-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 60973025) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID60973025
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC NameN-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(Nc1ccc(OCC(F)(F)F)nc1)c1ccn[nH]1
InChIInChI=1S/C12H13F3N4O/c1-8(10-4-5-17-19-10)18-9-2-3-11(16-6-9)20-7-12(13,14)15/h2-6,8,18H,7H2,1H3,(H,17,19)
InChIKeyJMVJTMWLGGLUPN-UHFFFAOYSA-N
XLogP2.92
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 60973025) is N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CC(Nc1ccc(OCC(F)(F)F)nc1)c1ccn[nH]1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is JMVJTMWLGGLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-8(10-4-5-17-19-10)18-9-2-3-11(16-6-9)20-7-12(13,14)15/h2-6,8,18H,7H2,1H3,(H,17,19).
What are the key properties of N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 286.26 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 60973025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).