6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C9H12F3N3 — CID 122504619

IUPAC6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCN1CCc2cn(CC(F)(F)F)nc2C1
InChIInChI=1S/C9H12F3N3/c1-14-3-2-7-4-15(6-9(10,11)12)13-8(7)5-14/h4H,2-3,5-6H2,1H3
InChIKeyJXLZHIVQQCFGOL-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.43
Rot. Bonds1

About 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 122504619) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID122504619
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCN1CCc2cn(CC(F)(F)F)nc2C1
InChIInChI=1S/C9H12F3N3/c1-14-3-2-7-4-15(6-9(10,11)12)13-8(7)5-14/h4H,2-3,5-6H2,1H3
InChIKeyJXLZHIVQQCFGOL-UHFFFAOYSA-N
XLogP1.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 122504619) is 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CN1CCc2cn(CC(F)(F)F)nc2C1.
What is the InChIKey of 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is JXLZHIVQQCFGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-14-3-2-7-4-15(6-9(10,11)12)13-8(7)5-14/h4H,2-3,5-6H2,1H3.
What are the key properties of 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 122504619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).