3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride

C7H9ClF3N3 — CID 66970081

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1n[nH]c2c1CCNC2
InChIInChI=1S/C7H8F3N3.ClH/c8-7(9,10)6-4-1-2-11-3-5(4)12-13-6;/h11H,1-3H2,(H,12,13);1H
InChIKeyMFPMUSNWKAXBCK-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.50
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride (PubChem CID 66970081) has the molecular formula C7H9ClF3N3 and a molecular weight of 227.62 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride
PubChem CID66970081
Molecular FormulaC7H9ClF3N3
Molecular Weight227.62 g/mol
Exact Mass227.04
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1n[nH]c2c1CCNC2
InChIInChI=1S/C7H8F3N3.ClH/c8-7(9,10)6-4-1-2-11-3-5(4)12-13-6;/h11H,1-3H2,(H,12,13);1H
InChIKeyMFPMUSNWKAXBCK-UHFFFAOYSA-N
XLogP1.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride (CID 66970081) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride is Cl.FC(F)(F)c1n[nH]c2c1CCNC2.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride?
The InChIKey is MFPMUSNWKAXBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3.ClH/c8-7(9,10)6-4-1-2-11-3-5(4)12-13-6;/h11H,1-3H2,(H,12,13);1H.
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride has a molecular weight of 227.62 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride is sourced from PubChem (CID 66970081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).