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

C8H11ClF3N3 — CID 91926999

IUPAC5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCN1CCc2[nH]nc(C(F)(F)F)c2C1.Cl
InChIInChI=1S/C8H10F3N3.ClH/c1-14-3-2-6-5(4-14)7(13-12-6)8(9,10)11;/h2-4H2,1H3,(H,12,13);1H
InChIKeyZORKEVHWHRKPOL-UHFFFAOYSA-N
MW241.64 g/mol
LogP1.84
Rot. Bonds

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

5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 91926999) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID91926999
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCN1CCc2[nH]nc(C(F)(F)F)c2C1.Cl
InChIInChI=1S/C8H10F3N3.ClH/c1-14-3-2-6-5(4-14)7(13-12-6)8(9,10)11;/h2-4H2,1H3,(H,12,13);1H
InChIKeyZORKEVHWHRKPOL-UHFFFAOYSA-N
XLogP1.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (CID 91926999) is 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is CN1CCc2[nH]nc(C(F)(F)F)c2C1.Cl.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is ZORKEVHWHRKPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3.ClH/c1-14-3-2-6-5(4-14)7(13-12-6)8(9,10)11;/h2-4H2,1H3,(H,12,13);1H.
What are the key properties of 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 91926999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).