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

C15H16F3N3 — CID 146457285

IUPAC(7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESC[C@@H]1NCCc2c1nn(C)c2-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3/c1-9-13-12(6-7-19-9)14(21(2)20-13)10-4-3-5-11(8-10)15(16,17)18/h3-5,8-9,19H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyLQXBQGJOWXCGLJ-VIFPVBQESA-N
MW295.31 g/mol
LogP3.31
Rot. Bonds1

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

(7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 146457285) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name(7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID146457285
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name(7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESC[C@@H]1NCCc2c1nn(C)c2-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3/c1-9-13-12(6-7-19-9)14(21(2)20-13)10-4-3-5-11(8-10)15(16,17)18/h3-5,8-9,19H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyLQXBQGJOWXCGLJ-VIFPVBQESA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 146457285) is (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is C[C@@H]1NCCc2c1nn(C)c2-c1cccc(C(F)(F)F)c1.
What is the InChIKey of (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is LQXBQGJOWXCGLJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9-13-12(6-7-19-9)14(21(2)20-13)10-4-3-5-11(8-10)15(16,17)18/h3-5,8-9,19H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
(7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 295.31 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2,7-dimethyl-3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 146457285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).