5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19F3N8O — CID 122542166

About 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122542166) has the molecular formula C18H19F3N8O and a molecular weight of 420.40 g/mol. Its IUPAC name is 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 122542166
• Molecular Formula: C18H19F3N8O
• Molecular Weight: 420.40 g/mol
• Exact Mass: 420.16
• IUPAC Name: 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1cc(NC(=O)c2cnn3ccc(N4C[C@H]5CN[C@H](C5)C4)nc23)c(C(F)(F)F)n1
• InChI: InChI=1S/C18H19F3N8O/c1-27-9-13(15(26-27)18(19,20)21)24-17(30)12-6-23-29-3-2-14(25-16(12)29)28-7-10-4-11(8-28)22-5-10/h2-3,6,9-11,22H,4-5,7-8H2,1H3,(H,24,30)/t10-,11-/m1/s1
• InChIKey: LRMGWZCURUXMEL-GHMZBOCLSA-N
• XLogP: 1.53
• TPSA: 92.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.40
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122542166) is 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N4C[C@H]5CN[C@H](C5)C4)nc23)c(C(F)(F)F)n1.

What is the InChIKey of 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LRMGWZCURUXMEL-GHMZBOCLSA-N. The full InChI is InChI=1S/C18H19F3N8O/c1-27-9-13(15(26-27)18(19,20)21)24-17(30)12-6-23-29-3-2-14(25-16(12)29)28-7-10-4-11(8-28)22-5-10/h2-3,6,9-11,22H,4-5,7-8H2,1H3,(H,24,30)/t10-,11-/m1/s1.

What are the key properties of 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122542166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).