(5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H23F3N6O — CID 136814187

About (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136814187) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 136814187
• Molecular Formula: C25H23F3N6O
• Molecular Weight: 480.49 g/mol
• Exact Mass: 480.19
• IUPAC Name: (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccc(-n5cccn5)cc4)cc3N2)cc1
• InChI: InChI=1S/C25H23F3N6O/c1-16-3-7-18(8-4-16)20-13-22(25(26,27)28)34-23(31-20)14-21(32-34)24(35)29-15-17-5-9-19(10-6-17)33-12-2-11-30-33/h2-12,14,20,22,31H,13,15H2,1H3,(H,29,35)/t20-,22-/m1/s1
• InChIKey: CFTADWVZMPWGSR-IFMALSPDSA-N
• XLogP: 4.97
• TPSA: 76.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.49
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 136814187) is (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccc(-n5cccn5)cc4)cc3N2)cc1.

What is the InChIKey of (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is CFTADWVZMPWGSR-IFMALSPDSA-N. The full InChI is InChI=1S/C25H23F3N6O/c1-16-3-7-18(8-4-16)20-13-22(25(26,27)28)34-23(31-20)14-21(32-34)24(35)29-15-17-5-9-19(10-6-17)33-12-2-11-30-33/h2-12,14,20,22,31H,13,15H2,1H3,(H,29,35)/t20-,22-/m1/s1.

What are the key properties of (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

(5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,7R)-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136814187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).