5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C16H24F3N3O — CID 90162139

About 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 90162139) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 90162139
• Molecular Formula: C16H24F3N3O
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.19
• IUPAC Name: 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: C=C(OC(C)(C)C)N1CCc2c(c(C(F)(F)F)nn2C(C)C)C1
• InChI: InChI=1S/C16H24F3N3O/c1-10(2)22-13-7-8-21(11(3)23-15(4,5)6)9-12(13)14(20-22)16(17,18)19/h10H,3,7-9H2,1-2,4-6H3
• InChIKey: GTHMCAYTWDJQKA-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 30.29 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 90162139) is 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is C=C(OC(C)(C)C)N1CCc2c(c(C(F)(F)F)nn2C(C)C)C1.

What is the InChIKey of 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is GTHMCAYTWDJQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-10(2)22-13-7-8-21(11(3)23-15(4,5)6)9-12(13)14(20-22)16(17,18)19/h10H,3,7-9H2,1-2,4-6H3.

What are the key properties of 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 331.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 90162139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).