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

C10H14F3N3 — CID 118493379

IUPAC3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCCc1n[nH]c2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C10H14F3N3/c1-2-8-7-3-4-16(6-10(11,12)13)5-9(7)15-14-8/h2-6H2,1H3,(H,14,15)
InChIKeySJYQKDUMGGHQJR-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.89
Rot. Bonds2

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

3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 118493379) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID118493379
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCCc1n[nH]c2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C10H14F3N3/c1-2-8-7-3-4-16(6-10(11,12)13)5-9(7)15-14-8/h2-6H2,1H3,(H,14,15)
InChIKeySJYQKDUMGGHQJR-UHFFFAOYSA-N
XLogP1.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
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
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503
5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 99932735
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 25324037

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 118493379) is 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is CCc1n[nH]c2c1CCN(CC(F)(F)F)C2.
What is the InChIKey of 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is SJYQKDUMGGHQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-2-8-7-3-4-16(6-10(11,12)13)5-9(7)15-14-8/h2-6H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 233.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118493379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).