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

C14H14F3N3 — CID 70450234

IUPAC5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2C1
InChIInChI=1S/C14H14F3N3/c1-20-6-5-12-11(8-20)13(19-18-12)9-3-2-4-10(7-9)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,18,19)
InChIKeyQJPKJZOFLMGUSC-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.08
Rot. Bonds1

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

5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 70450234) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID70450234
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2C1
InChIInChI=1S/C14H14F3N3/c1-20-6-5-12-11(8-20)13(19-18-12)9-3-2-4-10(7-9)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,18,19)
InChIKeyQJPKJZOFLMGUSC-UHFFFAOYSA-N
XLogP3.08
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 70450234) is 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CN1CCc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2C1.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is QJPKJZOFLMGUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-20-6-5-12-11(8-20)13(19-18-12)9-3-2-4-10(7-9)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,18,19).
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 281.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 70450234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).