(4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide

C24H28F3N7O2 — CID 156783146

About (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide

(4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 156783146) has the molecular formula C24H28F3N7O2 and a molecular weight of 503.53 g/mol. Its IUPAC name is (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide
• PubChem CID: 156783146
• Molecular Formula: C24H28F3N7O2
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.23
• IUPAC Name: (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide
• SMILES: CC(=O)N1CCN([C@@H]2CN(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)N=C2c2ccc(C)cc2)CC1
• InChI: InChI=1S/C24H28F3N7O2/c1-15-4-6-18(7-5-15)21-20(33-10-8-32(9-11-33)17(3)35)14-34(31-21)23(36)30-16(2)19-12-28-22(29-13-19)24(25,26)27/h4-7,12-13,16,20H,8-11,14H2,1-3H3,(H,30,36)/t16-,20-/m1/s1
• InChIKey: PWHLQEQUQHNUJB-OXQOHEQNSA-N
• XLogP: 2.83
• TPSA: 94.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide?

The IUPAC name of (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide (CID 156783146) is (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide.

What is the SMILES notation for (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide?

The canonical SMILES for (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide is CC(=O)N1CCN([C@@H]2CN(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)N=C2c2ccc(C)cc2)CC1.

What is the InChIKey of (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide?

The InChIKey is PWHLQEQUQHNUJB-OXQOHEQNSA-N. The full InChI is InChI=1S/C24H28F3N7O2/c1-15-4-6-18(7-5-15)21-20(33-10-8-32(9-11-33)17(3)35)14-34(31-21)23(36)30-16(2)19-12-28-22(29-13-19)24(25,26)27/h4-7,12-13,16,20H,8-11,14H2,1-3H3,(H,30,36)/t16-,20-/m1/s1.

What are the key properties of (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide?

(4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 156783146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).