2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

C23H23F6N7O2S — CID 121485703

About 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone (PubChem CID 121485703) has the molecular formula C23H23F6N7O2S and a molecular weight of 575.54 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
• PubChem CID: 121485703
• Molecular Formula: C23H23F6N7O2S
• Molecular Weight: 575.54 g/mol
• Exact Mass: 575.15
• IUPAC Name: 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
• SMILES: O=C(Cn1ccc(C2CC2)n1)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)CC1CCO
• InChI: InChI=1S/C23H23F6N7O2S/c24-22(25,26)20-30-9-14(10-31-20)18-19(39-21(32-18)23(27,28)29)34-6-7-36(15(11-34)4-8-37)17(38)12-35-5-3-16(33-35)13-1-2-13/h3,5,9-10,13,15,37H,1-2,4,6-8,11-12H2
• InChIKey: YTLUUFZLGZMZDK-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.54
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone (CID 121485703) is 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone is O=C(Cn1ccc(C2CC2)n1)N1CCN(c2sc(C(F)(F)F)nc2-c2cnc(C(F)(F)F)nc2)CC1CCO.

What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?

The InChIKey is YTLUUFZLGZMZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F6N7O2S/c24-22(25,26)20-30-9-14(10-31-20)18-19(39-21(32-18)23(27,28)29)34-6-7-36(15(11-34)4-8-37)17(38)12-35-5-3-16(33-35)13-1-2-13/h3,5,9-10,13,15,37H,1-2,4,6-8,11-12H2.

What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?

2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone has a molecular weight of 575.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-cyclopropylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121485703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).