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

C9H12F3N3 — CID 118491787

IUPAC3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2c1CN(CC(F)(F)F)CC2
InChIInChI=1S/C9H12F3N3/c1-6-7-4-15(5-9(10,11)12)3-2-8(7)14-13-6/h2-5H2,1H3,(H,13,14)
InChIKeyFWORFDYUFUEGBB-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.64
Rot. Bonds1

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

3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 118491787) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID118491787
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2c1CN(CC(F)(F)F)CC2
InChIInChI=1S/C9H12F3N3/c1-6-7-4-15(5-9(10,11)12)3-2-8(7)14-13-6/h2-5H2,1H3,(H,13,14)
InChIKeyFWORFDYUFUEGBB-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

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Related Compounds

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2802863
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 19616647
tert-butyl 3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 56773879
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
N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
2,2-difluoro-2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethan-1-amine
CID 119031270
3-(difluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 165657638
3-Cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893263
(2E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
CID 50978581
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 118491787) is 3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cc1[nH]nc2c1CN(CC(F)(F)F)CC2.
What is the InChIKey of 3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is FWORFDYUFUEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-7-4-15(5-9(10,11)12)3-2-8(7)14-13-6/h2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-methyl-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-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-5-(2,2,2-trifluoroethyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118491787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).