1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride

C8H11ClF3N3 — CID 162423020

IUPAC1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
SMILESCl.FC(F)(F)Cn1ncc2c1CCNC2
InChIInChI=1S/C8H10F3N3.ClH/c9-8(10,11)5-14-7-1-2-12-3-6(7)4-13-14;/h4,12H,1-3,5H2;1H
InChIKeySYHGJLFHXGGDNP-UHFFFAOYSA-N
MW241.64 g/mol
LogP1.51
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride

1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride (PubChem CID 162423020) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
PubChem CID162423020
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
SMILESCl.FC(F)(F)Cn1ncc2c1CCNC2
InChIInChI=1S/C8H10F3N3.ClH/c9-8(10,11)5-14-7-1-2-12-3-6(7)4-13-14;/h4,12H,1-3,5H2;1H
InChIKeySYHGJLFHXGGDNP-UHFFFAOYSA-N
XLogP1.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride (CID 162423020) is 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride is Cl.FC(F)(F)Cn1ncc2c1CCNC2.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride?
The InChIKey is SYHGJLFHXGGDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3.ClH/c9-8(10,11)5-14-7-1-2-12-3-6(7)4-13-14;/h4,12H,1-3,5H2;1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride?
1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 162423020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).