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

C9H12F3N3 — CID 67337478

IUPAC7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC1(C)CNCc2c(C(F)(F)F)n[nH]c21
InChIInChI=1S/C9H12F3N3/c1-8(2)4-13-3-5-6(8)14-15-7(5)9(10,11)12/h13H,3-4H2,1-2H3,(H,14,15)
InChIKeyABVGMUWJTWZJCJ-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.81
Rot. Bonds

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

7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 67337478) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID67337478
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC1(C)CNCc2c(C(F)(F)F)n[nH]c21
InChIInChI=1S/C9H12F3N3/c1-8(2)4-13-3-5-6(8)14-15-7(5)9(10,11)12/h13H,3-4H2,1-2H3,(H,14,15)
InChIKeyABVGMUWJTWZJCJ-UHFFFAOYSA-N
XLogP1.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
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
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[4,3-c]pyridine
CID 45096966
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
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine (CID 67337478) is 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine is CC1(C)CNCc2c(C(F)(F)F)n[nH]c21.
What is the InChIKey of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is ABVGMUWJTWZJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-8(2)4-13-3-5-6(8)14-15-7(5)9(10,11)12/h13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine?
7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 67337478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).