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

C9H9F6N3 — CID 58617549

IUPAC1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)Cn1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C9H9F6N3/c10-8(11,12)4-18-6-1-2-16-3-5(6)7(17-18)9(13,14)15/h16H,1-4H2
InChIKeyGOCOZQWFAUUGLL-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.11
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 58617549) has the molecular formula C9H9F6N3 and a molecular weight of 273.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID58617549
Molecular FormulaC9H9F6N3
Molecular Weight273.18 g/mol
Exact Mass273.07
IUPAC Name1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)Cn1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C9H9F6N3/c10-8(11,12)4-18-6-1-2-16-3-5(6)7(17-18)9(13,14)15/h16H,1-4H2
InChIKeyGOCOZQWFAUUGLL-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-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-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 82417238
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
1,3-dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine dihydrochloride
CID 137951586
7,8,11-Triazatricyclo(6.4.0.0,2,6)dodeca-1,6-diene hydrochloride
CID 155858842
3-(difluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 165657638
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-1-methyl-4,5,6,7-tetrahydroindazole
CID 12031300
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methyl-4,5,6,7-tetrahydroindazole
CID 12031302
4-(2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-(2H)-indazol-3-yl)piperidine
CID 21912779
4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 22288395

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 58617549) is 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is FC(F)(F)Cn1nc(C(F)(F)F)c2c1CCNC2.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is GOCOZQWFAUUGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3/c10-8(11,12)4-18-6-1-2-16-3-5(6)7(17-18)9(13,14)15/h16H,1-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 273.18 g/mol, XLogP of 2.11, 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)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 58617549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).