(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

C18H16F3N5O2S — CID 122267366

About (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 122267366) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
• PubChem CID: 122267366
• Molecular Formula: C18H16F3N5O2S
• Molecular Weight: 423.42 g/mol
• Exact Mass: 423.10
• IUPAC Name: (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
• SMILES: O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
• InChI: InChI=1S/C18H16F3N5O2S/c19-18(20,21)15-5-6-22-17(23-15)28-11-3-1-7-26(10-11)16(27)13-9-12(24-25-13)14-4-2-8-29-14/h2,4-6,8-9,11H,1,3,7,10H2,(H,24,25)
• InChIKey: PGIQRNWTCJGCFU-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.42
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (CID 122267366) is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.

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

The canonical SMILES for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1.

What is the InChIKey of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?

The InChIKey is PGIQRNWTCJGCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c19-18(20,21)15-5-6-22-17(23-15)28-11-3-1-7-26(10-11)16(27)13-9-12(24-25-13)14-4-2-8-29-14/h2,4-6,8-9,11H,1,3,7,10H2,(H,24,25).

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

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 423.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122267366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).