N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H14F6N4O2 — CID 1046455

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

N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1046455) has the molecular formula C22H14F6N4O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 1046455
• Molecular Formula: C22H14F6N4O2
• Molecular Weight: 480.37 g/mol
• Exact Mass: 480.10
• IUPAC Name: N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CN(C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C22H14F6N4O2/c1-31(14-7-9-15(10-8-14)34-22(26,27)28)20(33)17-12-19-29-16(13-5-3-2-4-6-13)11-18(21(23,24)25)32(19)30-17/h2-12H,1H3
• InChIKey: UAPCEHSNAJZPJF-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 59.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.37
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1046455) is N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1ccc(OC(F)(F)F)cc1.

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

The InChIKey is UAPCEHSNAJZPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N4O2/c1-31(14-7-9-15(10-8-14)34-22(26,27)28)20(33)17-12-19-29-16(13-5-3-2-4-6-13)11-18(21(23,24)25)32(19)30-17/h2-12H,1H3.

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

N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 480.37 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1046455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).