1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate

C12H11F3N2O3 — CID 141436813

IUPAC1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate
SMILESCC(OC(=O)O)c1cc2cc(CC(F)(F)F)ccn2n1
InChIInChI=1S/C12H11F3N2O3/c1-7(20-11(18)19)10-5-9-4-8(6-12(13,14)15)2-3-17(9)16-10/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyZLXZYNHJQVSAOV-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.19
Rot. Bonds3

About 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate

1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate (PubChem CID 141436813) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate
PubChem CID141436813
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate
SMILESCC(OC(=O)O)c1cc2cc(CC(F)(F)F)ccn2n1
InChIInChI=1S/C12H11F3N2O3/c1-7(20-11(18)19)10-5-9-4-8(6-12(13,14)15)2-3-17(9)16-10/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyZLXZYNHJQVSAOV-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate 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 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate?
The IUPAC name of 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate (CID 141436813) is 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate is CC(OC(=O)O)c1cc2cc(CC(F)(F)F)ccn2n1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate?
The InChIKey is ZLXZYNHJQVSAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-7(20-11(18)19)10-5-9-4-8(6-12(13,14)15)2-3-17(9)16-10/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate?
1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate has a molecular weight of 288.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl hydrogen carbonate is sourced from PubChem (CID 141436813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).