(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone

C19H16F3N7OS — CID 110233971

About (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone (PubChem CID 110233971) has the molecular formula C19H16F3N7OS and a molecular weight of 447.45 g/mol. Its IUPAC name is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
• PubChem CID: 110233971
• Molecular Formula: C19H16F3N7OS
• Molecular Weight: 447.45 g/mol
• Exact Mass: 447.11
• IUPAC Name: (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
• InChI: InChI=1S/C19H16F3N7OS/c20-19(21,22)16-8-12(25-18-23-10-24-29(16)18)11-3-1-5-28(9-11)17(30)14-7-13(26-27-14)15-4-2-6-31-15/h2,4,6-8,10-11H,1,3,5,9H2,(H,26,27)
• InChIKey: LNJZWHCOKBZPLY-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.45
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone (CID 110233971) is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?

The canonical SMILES for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1.

What is the InChIKey of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?

The InChIKey is LNJZWHCOKBZPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7OS/c20-19(21,22)16-8-12(25-18-23-10-24-29(16)18)11-3-1-5-28(9-11)17(30)14-7-13(26-27-14)15-4-2-6-31-15/h2,4,6-8,10-11H,1,3,5,9H2,(H,26,27).

What are the key properties of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone has a molecular weight of 447.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110233971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).