3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C11H16F3N3 — CID 118489305

IUPAC3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCC(C)c1n[nH]c2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C11H16F3N3/c1-7(2)10-8-3-4-17(6-11(12,13)14)5-9(8)15-16-10/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyJGFOGKJWLXCXAC-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.45
Rot. Bonds2

About 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 118489305) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID118489305
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCC(C)c1n[nH]c2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C11H16F3N3/c1-7(2)10-8-3-4-17(6-11(12,13)14)5-9(8)15-16-10/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyJGFOGKJWLXCXAC-UHFFFAOYSA-N
XLogP2.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 118489305) is 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is CC(C)c1n[nH]c2c1CCN(CC(F)(F)F)C2.
What is the InChIKey of 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is JGFOGKJWLXCXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)10-8-3-4-17(6-11(12,13)14)5-9(8)15-16-10/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 247.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118489305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).