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

C14H11F6N3 — CID 110458971

IUPAC3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1ccccc1-n1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C14H11F6N3/c15-13(16,17)9-3-1-2-4-11(9)23-10-5-6-21-7-8(10)12(22-23)14(18,19)20/h1-4,21H,5-7H2
InChIKeyWBUBBIPHTJFULT-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.56
Rot. Bonds1

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

3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110458971) has the molecular formula C14H11F6N3 and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110458971
Molecular FormulaC14H11F6N3
Molecular Weight335.25 g/mol
Exact Mass335.09
IUPAC Name3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1ccccc1-n1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C14H11F6N3/c15-13(16,17)9-3-1-2-4-11(9)23-10-5-6-21-7-8(10)12(22-23)14(18,19)20/h1-4,21H,5-7H2
InChIKeyWBUBBIPHTJFULT-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110458971) is 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is FC(F)(F)c1ccccc1-n1nc(C(F)(F)F)c2c1CCNC2.
What is the InChIKey of 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is WBUBBIPHTJFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3/c15-13(16,17)9-3-1-2-4-11(9)23-10-5-6-21-7-8(10)12(22-23)14(18,19)20/h1-4,21H,5-7H2.
What are the key properties of 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 335.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110458971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).