(5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H19Br2F3N6O2 — CID 993852

About (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 993852) has the molecular formula C19H19Br2F3N6O2 and a molecular weight of 580.20 g/mol. Its IUPAC name is (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 993852
• Molecular Formula: C19H19Br2F3N6O2
• Molecular Weight: 580.20 g/mol
• Exact Mass: 577.99
• IUPAC Name: (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1nn(C)c(C)c1CNC(=O)c1nn2c(c1Br)N[C@@H](c1ccc(Br)o1)C[C@@H]2C(F)(F)F
• InChI: InChI=1S/C19H19Br2F3N6O2/c1-8-10(9(2)29(3)27-8)7-25-18(31)16-15(21)17-26-11(12-4-5-14(20)32-12)6-13(19(22,23)24)30(17)28-16/h4-5,11,13,26H,6-7H2,1-3H3,(H,25,31)/t11-,13-/m1/s1
• InChIKey: LVQGMESLWSPDDO-DGCLKSJQSA-N
• XLogP: 4.94
• TPSA: 89.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.20
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 993852) is (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1nn2c(c1Br)N[C@@H](c1ccc(Br)o1)C[C@@H]2C(F)(F)F.

What is the InChIKey of (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is LVQGMESLWSPDDO-DGCLKSJQSA-N. The full InChI is InChI=1S/C19H19Br2F3N6O2/c1-8-10(9(2)29(3)27-8)7-25-18(31)16-15(21)17-26-11(12-4-5-14(20)32-12)6-13(19(22,23)24)30(17)28-16/h4-5,11,13,26H,6-7H2,1-3H3,(H,25,31)/t11-,13-/m1/s1.

What are the key properties of (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

(5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 580.20 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 993852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).