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

C25H15ClF6N6O — CID 19346955

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

5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19346955) has the molecular formula C25H15ClF6N6O and a molecular weight of 564.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19346955
• Molecular Formula: C25H15ClF6N6O
• Molecular Weight: 564.88 g/mol
• Exact Mass: 564.09
• IUPAC Name: 5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1
• InChI: InChI=1S/C25H15ClF6N6O/c26-17-6-4-15(5-7-17)19-9-21(25(30,31)32)38-22(35-19)10-20(36-38)23(39)34-18-11-33-37(13-18)12-14-2-1-3-16(8-14)24(27,28)29/h1-11,13H,12H2,(H,34,39)
• InChIKey: MSHYZIQEEHPUPE-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.88
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19346955) is 5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1.

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

The InChIKey is MSHYZIQEEHPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF6N6O/c26-17-6-4-15(5-7-17)19-9-21(25(30,31)32)38-22(35-19)10-20(36-38)23(39)34-18-11-33-37(13-18)12-14-2-1-3-16(8-14)24(27,28)29/h1-11,13H,12H2,(H,34,39).

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

5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 564.88 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19346955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).