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

C23H27F3N6O3 — CID 136859020

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

(5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136859020) has the molecular formula C23H27F3N6O3 and a molecular weight of 492.50 g/mol. Its IUPAC name is (5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: (5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 136859020
• Molecular Formula: C23H27F3N6O3
• Molecular Weight: 492.50 g/mol
• Exact Mass: 492.21
• IUPAC Name: (5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N(C)Cc4cn(C)nc4C)cc3N2)cc1OC
• InChI: InChI=1S/C23H27F3N6O3/c1-13-15(12-31(3)28-13)11-30(2)22(33)17-10-21-27-16(9-20(23(24,25)26)32(21)29-17)14-6-7-18(34-4)19(8-14)35-5/h6-8,10,12,16,20,27H,9,11H2,1-5H3/t16-,20-/m1/s1
• InChIKey: YGIVKXGYKXGWQS-OXQOHEQNSA-N
• XLogP: 3.87
• TPSA: 86.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.50
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 136859020) is (5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for (5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N(C)Cc4cn(C)nc4C)cc3N2)cc1OC.

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

The InChIKey is YGIVKXGYKXGWQS-OXQOHEQNSA-N. The full InChI is InChI=1S/C23H27F3N6O3/c1-13-15(12-31(3)28-13)11-30(2)22(33)17-10-21-27-16(9-20(23(24,25)26)32(21)29-17)14-6-7-18(34-4)19(8-14)35-5/h6-8,10,12,16,20,27H,9,11H2,1-5H3/t16-,20-/m1/s1.

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

(5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,7R)-5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136859020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).