5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H21ClF3N5O4S — CID 69293027

About 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 69293027) has the molecular formula C25H21ClF3N5O4S and a molecular weight of 579.99 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 69293027
• Molecular Formula: C25H21ClF3N5O4S
• Molecular Weight: 579.99 g/mol
• Exact Mass: 579.10
• IUPAC Name: 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)ccc1Cl
• InChI: InChI=1S/C25H21ClF3N5O4S/c1-15-11-16(5-6-20(15)26)21-13-22(25(27,28)29)34-23(32-21)19(14-30-34)24(35)31-17-3-2-4-18(12-17)39(36,37)33-7-9-38-10-8-33/h2-6,11-14H,7-10H2,1H3,(H,31,35)
• InChIKey: HPABNYORWKKHBF-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 105.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.99
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 69293027) is 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)ccc1Cl.

What is the InChIKey of 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HPABNYORWKKHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N5O4S/c1-15-11-16(5-6-20(15)26)21-13-22(25(27,28)29)34-23(32-21)19(14-30-34)24(35)31-17-3-2-4-18(12-17)39(36,37)33-7-9-38-10-8-33/h2-6,11-14H,7-10H2,1H3,(H,31,35).

What are the key properties of 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 579.99 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 69293027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).