N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23F3N6O — CID 2972219

About N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2972219) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 2972219
• Molecular Formula: C25H23F3N6O
• Molecular Weight: 480.49 g/mol
• Exact Mass: 480.19
• IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccccc1Cn1ccc(NC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)n1
• InChI: InChI=1S/C25H23F3N6O/c1-16-7-5-6-10-18(16)15-33-12-11-22(32-33)31-24(35)19-14-29-34-21(25(26,27)28)13-20(30-23(19)34)17-8-3-2-4-9-17/h2-12,14,20-21,30H,13,15H2,1H3,(H,31,32,35)
• InChIKey: VZZODCGNTWDMEL-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 76.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.49
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2972219) is N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccccc1Cn1ccc(NC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)n1.

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

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

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

N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2972219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).