1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride

C8H11ClF3N3 — CID 138987689

IUPAC1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
SMILESCl.Cn1ncc2c1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H10F3N3.ClH/c1-14-6-2-3-7(8(9,10)11)13-5(6)4-12-14;/h4,7,13H,2-3H2,1H3;1H
InChIKeyQXBREAXMRWIGIG-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.13
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride

1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride (PubChem CID 138987689) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
PubChem CID138987689
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
SMILESCl.Cn1ncc2c1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H10F3N3.ClH/c1-14-6-2-3-7(8(9,10)11)13-5(6)4-12-14;/h4,7,13H,2-3H2,1H3;1H
InChIKeyQXBREAXMRWIGIG-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride (CID 138987689) is 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride is Cl.Cn1ncc2c1CCC(C(F)(F)F)N2.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride?
The InChIKey is QXBREAXMRWIGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3.ClH/c1-14-6-2-3-7(8(9,10)11)13-5(6)4-12-14;/h4,7,13H,2-3H2,1H3;1H.
What are the key properties of 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride?
1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 138987689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).