3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

C9H12F3N3 — CID 118491775

IUPAC3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C9H12F3N3/c1-6-7-2-3-15(5-9(10,11)12)4-8(7)14-13-6/h2-5H2,1H3,(H,13,14)
InChIKeyAHUNFDWVORHZHU-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.64
Rot. Bonds1

About 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 118491775) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID118491775
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C9H12F3N3/c1-6-7-2-3-15(5-9(10,11)12)4-8(7)14-13-6/h2-5H2,1H3,(H,13,14)
InChIKeyAHUNFDWVORHZHU-UHFFFAOYSA-N
XLogP1.64
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine hydrochloride
CID 66970081
3-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine
CID 71307611
3-(difluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 165657638
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
CID 126776910
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 25324037
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine
CID 45096965
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 45480287
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
CID 50988603
tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 50992799
6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridine
CID 50992800
5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57362245
5-Acetyl-4,5,6,7-tetrahydro-3-(trifluoromethyl)pyrazolo-[4,3-C]-pyridine
CID 57373291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (CID 118491775) is 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is Cc1[nH]nc2c1CCN(CC(F)(F)F)C2.
What is the InChIKey of 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is AHUNFDWVORHZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-7-2-3-15(5-9(10,11)12)4-8(7)14-13-6/h2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 118491775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).