9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate

C27H23F3N4O2 — CID 95802116

About 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate (PubChem CID 95802116) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate
• PubChem CID: 95802116
• Molecular Formula: C27H23F3N4O2
• Molecular Weight: 492.50 g/mol
• Exact Mass: 492.18
• IUPAC Name: 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate
• SMILES: Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)C3)cc2n1
• InChI: InChI=1S/C27H23F3N4O2/c1-16-12-24(27(28,29)30)34-25(31-16)13-23(32-34)17-10-11-33(14-17)26(35)36-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,12-13,17,22H,10-11,14-15H2,1H3/t17-/m1/s1
• InChIKey: LNZHMARXVGPKCZ-QGZVFWFLSA-N
• XLogP: 5.79
• TPSA: 59.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.50
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate?

The IUPAC name of 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate (CID 95802116) is 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate?

The canonical SMILES for 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate is Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)C3)cc2n1.

What is the InChIKey of 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate?

The InChIKey is LNZHMARXVGPKCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c1-16-12-24(27(28,29)30)34-25(31-16)13-23(32-34)17-10-11-33(14-17)26(35)36-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,12-13,17,22H,10-11,14-15H2,1H3/t17-/m1/s1.

What are the key properties of 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate?

9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 492.50 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl (3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 95802116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).