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

C9H13ClF3N3 — CID 67338170

IUPAC7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
SMILESCC1(C)CNCc2c(C(F)(F)F)n[nH]c21.Cl
InChIInChI=1S/C9H12F3N3.ClH/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);1H
InChIKeyDUBVODJICZYAPD-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.23
Rot. Bonds

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

7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride (PubChem CID 67338170) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
PubChem CID67338170
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Name7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
SMILESCC1(C)CNCc2c(C(F)(F)F)n[nH]c21.Cl
InChIInChI=1S/C9H12F3N3.ClH/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);1H
InChIKeyDUBVODJICZYAPD-UHFFFAOYSA-N
XLogP2.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride (CID 67338170) is 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride is CC1(C)CNCc2c(C(F)(F)F)n[nH]c21.Cl.
What is the InChIKey of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride?
The InChIKey is DUBVODJICZYAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.ClH/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);1H.
What are the key properties of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride?
7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.23, 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;hydrochloride is sourced from PubChem (CID 67338170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).