[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C21H22F3N5OS — CID 56541695

About [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56541695) has the molecular formula C21H22F3N5OS and a molecular weight of 449.50 g/mol. Its IUPAC name is [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 56541695
• Molecular Formula: C21H22F3N5OS
• Molecular Weight: 449.50 g/mol
• Exact Mass: 449.15
• IUPAC Name: [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• SMILES: CC(C)c1c(C(=O)N2CCCC(c3nccs3)C2)cnn1-c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C21H22F3N5OS/c1-13(2)18-16(11-27-29(18)17-6-5-15(10-26-17)21(22,23)24)20(30)28-8-3-4-14(12-28)19-25-7-9-31-19/h5-7,9-11,13-14H,3-4,8,12H2,1-2H3
• InChIKey: IDDQZXGFRDDZOF-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.50
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56541695) is [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC(C)c1c(C(=O)N2CCCC(c3nccs3)C2)cnn1-c1ccc(C(F)(F)F)cn1.

What is the InChIKey of [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is IDDQZXGFRDDZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5OS/c1-13(2)18-16(11-27-29(18)17-6-5-15(10-26-17)21(22,23)24)20(30)28-8-3-4-14(12-28)19-25-7-9-31-19/h5-7,9-11,13-14H,3-4,8,12H2,1-2H3.

What are the key properties of [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 449.50 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56541695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).