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

C8H10F3N3 — CID 138987690

IUPAC1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCn1ncc2c1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H10F3N3/c1-14-6-2-3-7(8(9,10)11)13-5(6)4-12-14/h4,7,13H,2-3H2,1H3
InChIKeyQPMIBGGJPDGWEB-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.71
Rot. Bonds

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

1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 138987690) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID138987690
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCn1ncc2c1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H10F3N3/c1-14-6-2-3-7(8(9,10)11)13-5(6)4-12-14/h4,7,13H,2-3H2,1H3
InChIKeyQPMIBGGJPDGWEB-UHFFFAOYSA-N
XLogP1.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 138987690) is 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is Cn1ncc2c1CCC(C(F)(F)F)N2.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is QPMIBGGJPDGWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-14-6-2-3-7(8(9,10)11)13-5(6)4-12-14/h4,7,13H,2-3H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
1-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 205.18 g/mol, XLogP of 1.71, 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 is sourced from PubChem (CID 138987690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).