5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H25F3N4S — CID 92580974

About 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 92580974) has the molecular formula C19H25F3N4S and a molecular weight of 398.50 g/mol. Its IUPAC name is 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
• PubChem CID: 92580974
• Molecular Formula: C19H25F3N4S
• Molecular Weight: 398.50 g/mol
• Exact Mass: 398.18
• IUPAC Name: 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
• SMILES: CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CCSCC3)cc2n1
• InChI: InChI=1S/C19H25F3N4S/c1-12(2)14-10-17(19(20,21)22)26-18(23-14)11-15(24-26)16-4-3-7-25(16)13-5-8-27-9-6-13/h10-13,16H,3-9H2,1-2H3/t16-/m1/s1
• InChIKey: SHGSXCQWAMEKKP-MRXNPFEDSA-N
• XLogP: 4.90
• TPSA: 33.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.50
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 92580974) is 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CCSCC3)cc2n1.

What is the InChIKey of 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?

The InChIKey is SHGSXCQWAMEKKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25F3N4S/c1-12(2)14-10-17(19(20,21)22)26-18(23-14)11-15(24-26)16-4-3-7-25(16)13-5-8-27-9-6-13/h10-13,16H,3-9H2,1-2H3/t16-/m1/s1.

What are the key properties of 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?

5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 398.50 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 92580974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).