5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C15H20F3N5 — CID 146042624

IUPAC5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)Cc1nc(C2CCn3nccc3C2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H20F3N5/c1-10(2)7-13-20-14(23(21-13)9-15(16,17)18)11-4-6-22-12(8-11)3-5-19-22/h3,5,10-11H,4,6-9H2,1-2H3
InChIKeyIDTVWEZOTUMWLL-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.97
Rot. Bonds4

About 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 146042624) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID146042624
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)Cc1nc(C2CCn3nccc3C2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H20F3N5/c1-10(2)7-13-20-14(23(21-13)9-15(16,17)18)11-4-6-22-12(8-11)3-5-19-22/h3,5,10-11H,4,6-9H2,1-2H3
InChIKeyIDTVWEZOTUMWLL-UHFFFAOYSA-N
XLogP2.97
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 146042624) is 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)Cc1nc(C2CCn3nccc3C2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is IDTVWEZOTUMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-10(2)7-13-20-14(23(21-13)9-15(16,17)18)11-4-6-22-12(8-11)3-5-19-22/h3,5,10-11H,4,6-9H2,1-2H3.
What are the key properties of 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 327.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 146042624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).