5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C22H19F3N6O2 — CID 55572298

About 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55572298) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
• PubChem CID: 55572298
• Molecular Formula: C22H19F3N6O2
• Molecular Weight: 456.43 g/mol
• Exact Mass: 456.15
• IUPAC Name: 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
• SMILES: Cc1cc(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)n(-c2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C22H19F3N6O2/c1-13-10-19(31(28-13)16-9-5-6-14(11-16)22(23,24)25)27-21(33)17-12-18(20(26)32)30(29-17)15-7-3-2-4-8-15/h2-11,18H,12H2,1H3,(H2,26,32)(H,27,33)
• InChIKey: LQEQLFOXNJAGCH-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 105.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.43
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The IUPAC name of 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55572298) is 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

What is the SMILES notation for 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The canonical SMILES for 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is Cc1cc(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)n(-c2cccc(C(F)(F)F)c2)n1.

What is the InChIKey of 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The InChIKey is LQEQLFOXNJAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-13-10-19(31(28-13)16-9-5-6-14(11-16)22(23,24)25)27-21(33)17-12-18(20(26)32)30(29-17)15-7-3-2-4-8-15/h2-11,18H,12H2,1H3,(H2,26,32)(H,27,33).

What are the key properties of 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 456.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55572298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).