7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H23F3N4O2S — CID 118009246

About 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118009246) has the molecular formula C21H23F3N4O2S and a molecular weight of 452.50 g/mol. Its IUPAC name is 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 118009246
• Molecular Formula: C21H23F3N4O2S
• Molecular Weight: 452.50 g/mol
• Exact Mass: 452.15
• IUPAC Name: 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: CC(C)c1sc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n2c1C1CC1CO
• InChI: InChI=1S/C21H23F3N4O2S/c1-10(2)19-18(14-5-12(14)9-29)28-17(30)6-13(25-20(28)31-19)8-27-15(11-3-4-11)7-16(26-27)21(22,23)24/h6-7,10-12,14,29H,3-5,8-9H2,1-2H3
• InChIKey: XCQKKHBSCOGLHQ-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 72.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.50
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118009246) is 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)c1sc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n2c1C1CC1CO.

What is the InChIKey of 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is XCQKKHBSCOGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2S/c1-10(2)19-18(14-5-12(14)9-29)28-17(30)6-13(25-20(28)31-19)8-27-15(11-3-4-11)7-16(26-27)21(22,23)24/h6-7,10-12,14,29H,3-5,8-9H2,1-2H3.

What are the key properties of 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 452.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[2-(hydroxymethyl)cyclopropyl]-2-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118009246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).