6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine

C8H11F3N4 — CID 83917576

IUPAC6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
SMILESNc1n[nH]c2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C8H11F3N4/c9-8(10,11)4-15-2-1-5-6(3-15)13-14-7(5)12/h1-4H2,(H3,12,13,14)
InChIKeyGSYSVCTVEUEEKQ-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.91
Rot. Bonds1

About 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine

6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine (PubChem CID 83917576) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
PubChem CID83917576
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
SMILESNc1n[nH]c2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C8H11F3N4/c9-8(10,11)4-15-2-1-5-6(3-15)13-14-7(5)12/h1-4H2,(H3,12,13,14)
InChIKeyGSYSVCTVEUEEKQ-UHFFFAOYSA-N
XLogP0.91
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine hydrochloride
CID 66970081
1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride
CID 75485650
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 45480287
6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridine
CID 50992800
6-Propan-2-yl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 68211073
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 84732000
4,6-Bis(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-3-amine
CID 90461922
3-(Fluoromethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 117956506
3-Methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118491713
3-Methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118491775
3-Ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118493379
3-Ethyl-6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118493385

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine (CID 83917576) is 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine is Nc1n[nH]c2c1CCN(CC(F)(F)F)C2.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?
The InChIKey is GSYSVCTVEUEEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)4-15-2-1-5-6(3-15)13-14-7(5)12/h1-4H2,(H3,12,13,14).
What are the key properties of 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?
6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine has a molecular weight of 220.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 83917576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).