N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C16H23F3N4O — CID 19534842

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19534842) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• PubChem CID: 19534842
• Molecular Formula: C16H23F3N4O
• Molecular Weight: 344.38 g/mol
• Exact Mass: 344.18
• IUPAC Name: N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• SMILES: Cc1cc(C(F)(F)F)nn1C(C)C(=O)NC1CC2CCC(C1)N2C
• InChI: InChI=1S/C16H23F3N4O/c1-9-6-14(16(17,18)19)21-23(9)10(2)15(24)20-11-7-12-4-5-13(8-11)22(12)3/h6,10-13H,4-5,7-8H2,1-3H3,(H,20,24)
• InChIKey: ZYFPOLLUTDBELN-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.38
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19534842) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)NC1CC2CCC(C1)N2C.

What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The InChIKey is ZYFPOLLUTDBELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-9-6-14(16(17,18)19)21-23(9)10(2)15(24)20-11-7-12-4-5-13(8-11)22(12)3/h6,10-13H,4-5,7-8H2,1-3H3,(H,20,24).

What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19534842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).