N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C20H22F6N8O4 — CID 134263176

About N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 134263176) has the molecular formula C20H22F6N8O4 and a molecular weight of 552.44 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 134263176
• Molecular Formula: C20H22F6N8O4
• Molecular Weight: 552.44 g/mol
• Exact Mass: 552.17
• IUPAC Name: N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cn1cc(NC(=O)c2cnn3ccc(NCCN4CCOCC4)nc23)c(C(F)(F)F)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H21F3N8O2.C2HF3O2/c1-27-11-13(15(26-27)18(19,20)21)24-17(30)12-10-23-29-4-2-14(25-16(12)29)22-3-5-28-6-8-31-9-7-28;3-2(4,5)1(6)7/h2,4,10-11H,3,5-9H2,1H3,(H,22,25)(H,24,30);(H,6,7)
• InChIKey: JUEREUZLEULNLR-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 138.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.44
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 134263176) is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(NC(=O)c2cnn3ccc(NCCN4CCOCC4)nc23)c(C(F)(F)F)n1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is JUEREUZLEULNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N8O2.C2HF3O2/c1-27-11-13(15(26-27)18(19,20)21)24-17(30)12-10-23-29-4-2-14(25-16(12)29)22-3-5-28-6-8-31-9-7-28;3-2(4,5)1(6)7/h2,4,10-11H,3,5-9H2,1H3,(H,22,25)(H,24,30);(H,6,7).

What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 552.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134263176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).