2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

C11H14F3N5 — CID 163865724

IUPAC2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCNc1ccn(C2(CC#N)CN(CC(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N5/c1-16-9-2-5-19(17-9)10(3-4-15)6-18(7-10)8-11(12,13)14/h2,5H,3,6-8H2,1H3,(H,16,17)
InChIKeyPGKWIPASXVXEJL-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.41
Rot. Bonds4

About 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 163865724) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
PubChem CID163865724
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCNc1ccn(C2(CC#N)CN(CC(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N5/c1-16-9-2-5-19(17-9)10(3-4-15)6-18(7-10)8-11(12,13)14/h2,5H,3,6-8H2,1H3,(H,16,17)
InChIKeyPGKWIPASXVXEJL-UHFFFAOYSA-N
XLogP1.41
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 163865724) is 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is CNc1ccn(C2(CC#N)CN(CC(F)(F)F)C2)n1.
What is the InChIKey of 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The InChIKey is PGKWIPASXVXEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-16-9-2-5-19(17-9)10(3-4-15)6-18(7-10)8-11(12,13)14/h2,5H,3,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 273.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 163865724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).