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

C8H11F3N4 — CID 83917577

IUPAC5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2c1CN(CC(F)(F)F)CC2
InChIInChI=1S/C8H11F3N4/c9-8(10,11)4-15-2-1-6-5(3-15)7(12)14-13-6/h1-4H2,(H3,12,13,14)
InChIKeySMASOKCTGYJQCS-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.91
Rot. Bonds1

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

5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (PubChem CID 83917577) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
PubChem CID83917577
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2c1CN(CC(F)(F)F)CC2
InChIInChI=1S/C8H11F3N4/c9-8(10,11)4-15-2-1-6-5(3-15)7(12)14-13-6/h1-4H2,(H3,12,13,14)
InChIKeySMASOKCTGYJQCS-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

1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride
CID 75485650
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 25324037
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
CID 50988603
5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57362245
3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 58617572
5-Ethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 68029788
3-(1-Fluoroethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 68383779
7-Methyl-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 69920224
7,7-dimethyl-3-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-5-amine
CID 70830276
5-Propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 90162224
3-Propan-2-yl-5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489263
3-Propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118489305

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (CID 83917577) is 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is Nc1n[nH]c2c1CN(CC(F)(F)F)CC2.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is SMASOKCTGYJQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)4-15-2-1-6-5(3-15)7(12)14-13-6/h1-4H2,(H3,12,13,14).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-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 5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 83917577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).